2,4-diamino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrimidin-6-one

C10H15N5O — CID 135443714

IUPAC2,4-diamino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrimidin-6-one
SMILESCN1CC=C(c2c(N)nc(N)[nH]c2=O)CC1
InChIInChI=1S/C10H15N5O/c1-15-4-2-6(3-5-15)7-8(11)13-10(12)14-9(7)16/h2H,3-5H2,1H3,(H5,11,12,13,14,16)
InChIKeyNDODASYTRRAOIA-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.35
Rot. Bonds1

About 2,4-diamino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrimidin-6-one

2,4-diamino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrimidin-6-one (PubChem CID 135443714) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2,4-diamino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrimidin-6-one
PubChem CID135443714
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2,4-diamino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrimidin-6-one
SMILESCN1CC=C(c2c(N)nc(N)[nH]c2=O)CC1
InChIInChI=1S/C10H15N5O/c1-15-4-2-6(3-5-15)7-8(11)13-10(12)14-9(7)16/h2H,3-5H2,1H3,(H5,11,12,13,14,16)
InChIKeyNDODASYTRRAOIA-UHFFFAOYSA-N
XLogP-0.35
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,4-diamino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-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 2,4-diamino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrimidin-6-one (CID 135443714) is 2,4-diamino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrimidin-6-one is CN1CC=C(c2c(N)nc(N)[nH]c2=O)CC1.
What is the InChIKey of 2,4-diamino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is NDODASYTRRAOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-15-4-2-6(3-5-15)7-8(11)13-10(12)14-9(7)16/h2H,3-5H2,1H3,(H5,11,12,13,14,16).
What are the key properties of 2,4-diamino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrimidin-6-one?
2,4-diamino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 221.26 g/mol, XLogP of -0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135443714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).