N-[5-(2,6-dimethylmorpholin-2-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine

C26H30F2N6O2 — CID 175102041

IUPACN-[5-(2,6-dimethylmorpholin-2-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine
SMILESCC1CNCC(C)(c2ccc(Nc3ncc(F)c(-c4cc(F)c5c(c4)N(C(C)C)CCO5)n3)nc2)O1
InChIInChI=1S/C26H30F2N6O2/c1-15(2)34-7-8-35-24-19(27)9-17(10-21(24)34)23-20(28)13-31-25(33-23)32-22-6-5-18(12-30-22)26(4)14-29-11-16(3)36-26/h5-6,9-10,12-13,15-16,29H,7-8,11,14H2,1-4H3,(H,30,31,32,33)
InChIKeyPSNCVYLNEBXCRO-UHFFFAOYSA-N
MW496.56 g/mol
LogP4.39
Rot. Bonds5

About N-[5-(2,6-dimethylmorpholin-2-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine

N-[5-(2,6-dimethylmorpholin-2-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine (PubChem CID 175102041) has the molecular formula C26H30F2N6O2 and a molecular weight of 496.56 g/mol. Its IUPAC name is N-[5-(2,6-dimethylmorpholin-2-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-(2,6-dimethylmorpholin-2-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine
PubChem CID175102041
Molecular FormulaC26H30F2N6O2
Molecular Weight496.56 g/mol
Exact Mass496.24
IUPAC NameN-[5-(2,6-dimethylmorpholin-2-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine
SMILESCC1CNCC(C)(c2ccc(Nc3ncc(F)c(-c4cc(F)c5c(c4)N(C(C)C)CCO5)n3)nc2)O1
InChIInChI=1S/C26H30F2N6O2/c1-15(2)34-7-8-35-24-19(27)9-17(10-21(24)34)23-20(28)13-31-25(33-23)32-22-6-5-18(12-30-22)26(4)14-29-11-16(3)36-26/h5-6,9-10,12-13,15-16,29H,7-8,11,14H2,1-4H3,(H,30,31,32,33)
InChIKeyPSNCVYLNEBXCRO-UHFFFAOYSA-N
XLogP4.39
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-(2,6-dimethylmorpholin-2-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dimethylmorpholin-2-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine?
The IUPAC name of N-[5-(2,6-dimethylmorpholin-2-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine (CID 175102041) is N-[5-(2,6-dimethylmorpholin-2-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[5-(2,6-dimethylmorpholin-2-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine?
The canonical SMILES for N-[5-(2,6-dimethylmorpholin-2-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine is CC1CNCC(C)(c2ccc(Nc3ncc(F)c(-c4cc(F)c5c(c4)N(C(C)C)CCO5)n3)nc2)O1.
What is the InChIKey of N-[5-(2,6-dimethylmorpholin-2-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine?
The InChIKey is PSNCVYLNEBXCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N6O2/c1-15(2)34-7-8-35-24-19(27)9-17(10-21(24)34)23-20(28)13-31-25(33-23)32-22-6-5-18(12-30-22)26(4)14-29-11-16(3)36-26/h5-6,9-10,12-13,15-16,29H,7-8,11,14H2,1-4H3,(H,30,31,32,33).
What are the key properties of N-[5-(2,6-dimethylmorpholin-2-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine?
N-[5-(2,6-dimethylmorpholin-2-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine has a molecular weight of 496.56 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-dimethylmorpholin-2-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine is sourced from PubChem (CID 175102041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).