5-amino-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one

C10H16N4O2 — CID 136951263

IUPAC5-amino-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCC2(CCO)CC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-7-8(13-6-14-9(7)16)12-5-10(1-2-10)3-4-15/h6,15H,1-5,11H2,(H2,12,13,14,16)
InChIKeyNCODKOOAEJHMHB-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.07
Rot. Bonds5

About 5-amino-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one

5-amino-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136951263) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136951263
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCC2(CCO)CC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-7-8(13-6-14-9(7)16)12-5-10(1-2-10)3-4-15/h6,15H,1-5,11H2,(H2,12,13,14,16)
InChIKeyNCODKOOAEJHMHB-UHFFFAOYSA-N
XLogP-0.07
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-amino-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-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

Related Compounds

2,5-diamino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136067115
5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723590
5-amino-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723600
5-amino-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756213
5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772467
5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847973
5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849671
5-amino-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852222
5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857350
5-amino-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136857359
5-amino-4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864257
4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136951258

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (CID 136951263) is 5-amino-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is Nc1c(NCC2(CCO)CC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is NCODKOOAEJHMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-7-8(13-6-14-9(7)16)12-5-10(1-2-10)3-4-15/h6,15H,1-5,11H2,(H2,12,13,14,16).
What are the key properties of 5-amino-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
5-amino-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.07, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136951263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).