4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one

C9H14N4O — CID 83857342

IUPAC4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one
SMILESNc1cc(CC2CCCN2)[nH]c(=O)n1
InChIInChI=1S/C9H14N4O/c10-8-5-7(12-9(14)13-8)4-6-2-1-3-11-6/h5-6,11H,1-4H2,(H3,10,12,13,14)
InChIKeyBPNBKKHWOSUSCP-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.35
Rot. Bonds2

About 4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one

4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one (PubChem CID 83857342) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one
PubChem CID83857342
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one
SMILESNc1cc(CC2CCCN2)[nH]c(=O)n1
InChIInChI=1S/C9H14N4O/c10-8-5-7(12-9(14)13-8)4-6-2-1-3-11-6/h5-6,11H,1-4H2,(H3,10,12,13,14)
InChIKeyBPNBKKHWOSUSCP-UHFFFAOYSA-N
XLogP-0.35
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 57340744
2-methyl-5-(piperidin-2-ylmethyl)-1H-pyrazol-3-one
CID 83847605
3-chloro-5-(pyrrolidin-2-ylmethyl)aniline
CID 84678128
5-(piperidin-2-ylmethyl)-1H-pyrazole-3-carbaldehyde
CID 115092787
5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 82237690
5-chloro-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 83867973
2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride
CID 86262246
5-cyclobutyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 84696945
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline
CID 84665550
4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 170352618
2-(1H-pyrazol-5-ylmethyl)piperidine
CID 83845818

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one (CID 83857342) is 4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one is Nc1cc(CC2CCCN2)[nH]c(=O)n1.
What is the InChIKey of 4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one?
The InChIKey is BPNBKKHWOSUSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-8-5-7(12-9(14)13-8)4-6-2-1-3-11-6/h5-6,11H,1-4H2,(H3,10,12,13,14).
What are the key properties of 4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one?
4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 83857342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).