6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine

C19H23FN4O2 — CID 112872329

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2F)cc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C19H23FN4O2/c1-14-22-17(21-13-15-4-2-3-5-16(15)20)12-18(23-14)24-8-6-19(7-9-24)25-10-11-26-19/h2-5,12H,6-11,13H2,1H3,(H,21,22,23)
InChIKeyTVCBSBJTEWLCMD-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.88
Rot. Bonds4

About 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 112872329) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
PubChem CID112872329
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2F)cc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C19H23FN4O2/c1-14-22-17(21-13-15-4-2-3-5-16(15)20)12-18(23-14)24-8-6-19(7-9-24)25-10-11-26-19/h2-5,12H,6-11,13H2,1H3,(H,21,22,23)
InChIKeyTVCBSBJTEWLCMD-UHFFFAOYSA-N
XLogP2.88
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858912
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine
CID 112875061
6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872358
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112875048
N-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879949
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112875064
N-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880106
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 112875084
6-N-[(2-fluorophenyl)methyl]-2-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112872409
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
CID 112875066
2-(2-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122297387
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872484

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine (CID 112872329) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine is Cc1nc(NCc2ccccc2F)cc(N2CCC3(CC2)OCCO3)n1.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is TVCBSBJTEWLCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-14-22-17(21-13-15-4-2-3-5-16(15)20)12-18(23-14)24-8-6-19(7-9-24)25-10-11-26-19/h2-5,12H,6-11,13H2,1H3,(H,21,22,23).
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 358.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112872329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).