N-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine

C24H26F2N6O — CID 139390194

IUPACN-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
SMILESCC(C)CN1CCOc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCNC5)ncc3F)cc21
InChIInChI=1S/C24H26F2N6O/c1-14(2)13-32-7-8-33-23-17(25)9-16(10-20(23)32)22-18(26)12-28-24(31-22)30-21-4-3-15-11-27-6-5-19(15)29-21/h3-4,9-10,12,14,27H,5-8,11,13H2,1-2H3,(H,28,29,30,31)
InChIKeyYPBVPXIBHMXSAS-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.06
Rot. Bonds5

About N-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine

N-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine (PubChem CID 139390194) has the molecular formula C24H26F2N6O and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
PubChem CID139390194
Molecular FormulaC24H26F2N6O
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC NameN-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
SMILESCC(C)CN1CCOc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCNC5)ncc3F)cc21
InChIInChI=1S/C24H26F2N6O/c1-14(2)13-32-7-8-33-23-17(25)9-16(10-20(23)32)22-18(26)12-28-24(31-22)30-21-4-3-15-11-27-6-5-19(15)29-21/h3-4,9-10,12,14,27H,5-8,11,13H2,1-2H3,(H,28,29,30,31)
InChIKeyYPBVPXIBHMXSAS-UHFFFAOYSA-N
XLogP4.06
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[5-fluoro-4-(8-fluoro-1,1-dioxo-4-propan-2-yl-2,3-dihydro-1λ6,4-benzothiazin-6-yl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 166121083
N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 139390064
5-fluoro-7-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-yl-2,4-dihydroquinolin-3-one
CID 166121117
4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carbonitrile
CID 166120511
N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 145344063
6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]-3-piperidin-4-ylpyridine-2-carbonitrile
CID 139389980
N-[5-(aminomethyl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine
CID 162478363
N-[5-cyclopropyl-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine
CID 139409751
N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;methane
CID 145344062
5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
CID 156761505
8-fluoro-6-[5-fluoro-2-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 148512144
N-[5-(1,4-diazepan-1-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine
CID 139390133

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine?
The IUPAC name of N-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine (CID 139390194) is N-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine.
What is the SMILES notation for N-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine?
The canonical SMILES for N-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine is CC(C)CN1CCOc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCNC5)ncc3F)cc21.
What is the InChIKey of N-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine?
The InChIKey is YPBVPXIBHMXSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O/c1-14(2)13-32-7-8-33-23-17(25)9-16(10-20(23)32)22-18(26)12-28-24(31-22)30-21-4-3-15-11-27-6-5-19(15)29-21/h3-4,9-10,12,14,27H,5-8,11,13H2,1-2H3,(H,28,29,30,31).
What are the key properties of N-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine?
N-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine has a molecular weight of 452.51 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine is sourced from PubChem (CID 139390194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).