2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

C16H22N4O3 — CID 137273705

IUPAC2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOCC(O)CCNc1ccc(-c2nc(C)c(C)c(=O)[nH]2)cn1
InChIInChI=1S/C16H22N4O3/c1-10-11(2)19-15(20-16(10)22)12-4-5-14(18-8-12)17-7-6-13(21)9-23-3/h4-5,8,13,21H,6-7,9H2,1-3H3,(H,17,18)(H,19,20,22)
InChIKeyCLJHZZDYOBBKPF-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.26
Rot. Bonds7

About 2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137273705) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137273705
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOCC(O)CCNc1ccc(-c2nc(C)c(C)c(=O)[nH]2)cn1
InChIInChI=1S/C16H22N4O3/c1-10-11(2)19-15(20-16(10)22)12-4-5-14(18-8-12)17-7-6-13(21)9-23-3/h4-5,8,13,21H,6-7,9H2,1-3H3,(H,17,18)(H,19,20,22)
InChIKeyCLJHZZDYOBBKPF-UHFFFAOYSA-N
XLogP1.26
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 137273705) is 2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is COCC(O)CCNc1ccc(-c2nc(C)c(C)c(=O)[nH]2)cn1.
What is the InChIKey of 2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is CLJHZZDYOBBKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10-11(2)19-15(20-16(10)22)12-4-5-14(18-8-12)17-7-6-13(21)9-23-3/h4-5,8,13,21H,6-7,9H2,1-3H3,(H,17,18)(H,19,20,22).
What are the key properties of 2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 318.38 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137273705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).