4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine

C19H26FN5O — CID 71242124

IUPAC4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc(F)c(N3CCC(CN)CC3)n2)cc(C)c1C
InChIInChI=1S/C19H26FN5O/c1-12-8-15(9-17(26-3)13(12)2)23-19-22-11-16(20)18(24-19)25-6-4-14(10-21)5-7-25/h8-9,11,14H,4-7,10,21H2,1-3H3,(H,22,23,24)
InChIKeyWRFAAOFREPTFQO-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.16
Rot. Bonds5

About 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine

4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine (PubChem CID 71242124) has the molecular formula C19H26FN5O and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine
PubChem CID71242124
Molecular FormulaC19H26FN5O
Molecular Weight359.45 g/mol
Exact Mass359.21
IUPAC Name4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc(F)c(N3CCC(CN)CC3)n2)cc(C)c1C
InChIInChI=1S/C19H26FN5O/c1-12-8-15(9-17(26-3)13(12)2)23-19-22-11-16(20)18(24-19)25-6-4-14(10-21)5-7-25/h8-9,11,14H,4-7,10,21H2,1-3H3,(H,22,23,24)
InChIKeyWRFAAOFREPTFQO-UHFFFAOYSA-N
XLogP3.16
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine (CID 71242124) is 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine is COc1cc(Nc2ncc(F)c(N3CCC(CN)CC3)n2)cc(C)c1C.
What is the InChIKey of 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine?
The InChIKey is WRFAAOFREPTFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O/c1-12-8-15(9-17(26-3)13(12)2)23-19-22-11-16(20)18(24-19)25-6-4-14(10-21)5-7-25/h8-9,11,14H,4-7,10,21H2,1-3H3,(H,22,23,24).
What are the key properties of 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine?
4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine has a molecular weight of 359.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 71242124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).