4-(aminomethyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one

C11H12N4O — CID 137007205

IUPAC4-(aminomethyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one
SMILESCc1ccncc1-c1nc(CN)cc(=O)[nH]1
InChIInChI=1S/C11H12N4O/c1-7-2-3-13-6-9(7)11-14-8(5-12)4-10(16)15-11/h2-4,6H,5,12H2,1H3,(H,14,15,16)
InChIKeyPFSRFVPFGLYMAR-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.60
Rot. Bonds2

About 4-(aminomethyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one

4-(aminomethyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 137007205) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one
PubChem CID137007205
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name4-(aminomethyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one
SMILESCc1ccncc1-c1nc(CN)cc(=O)[nH]1
InChIInChI=1S/C11H12N4O/c1-7-2-3-13-6-9(7)11-14-8(5-12)4-10(16)15-11/h2-4,6H,5,12H2,1H3,(H,14,15,16)
InChIKeyPFSRFVPFGLYMAR-UHFFFAOYSA-N
XLogP0.60
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one
CID 136955614
6-(4-methyl-3-pyridinyl)-1H-pyrimidin-2-one
CID 106518941
4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135934367
6-(2-methylpropyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106481332
2-(4-methyl-3-pyridinyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477389
2-methyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106518927
1-[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]ethanone
CID 130502066
4-(chloromethyl)-2-(2-methylfuran-3-yl)-1H-pyrimidin-6-one
CID 136829218
4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 135978217
[2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidin-5-yl]methanamine
CID 114206080
6-(4-methyl-3-pyridinyl)-2-phenyl-1H-pyrimidine-4-thione
CID 106518926
N-[[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 114878874

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(aminomethyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one (CID 137007205) is 4-(aminomethyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(aminomethyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(aminomethyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one is Cc1ccncc1-c1nc(CN)cc(=O)[nH]1.
What is the InChIKey of 4-(aminomethyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is PFSRFVPFGLYMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-7-2-3-13-6-9(7)11-14-8(5-12)4-10(16)15-11/h2-4,6H,5,12H2,1H3,(H,14,15,16).
What are the key properties of 4-(aminomethyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one?
4-(aminomethyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 216.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137007205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).