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

C11H17N3O3 — CID 136951265

IUPAC4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(CCO)CC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-17-8-9(13-7-14-10(8)16)12-6-11(2-3-11)4-5-15/h7,15H,2-6H2,1H3,(H2,12,13,14,16)
InChIKeyFKNQMCMAVGRQJF-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.35
Rot. Bonds6

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

4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136951265) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136951265
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(CCO)CC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-17-8-9(13-7-14-10(8)16)12-6-11(2-3-11)4-5-15/h7,15H,2-6H2,1H3,(H2,12,13,14,16)
InChIKeyFKNQMCMAVGRQJF-UHFFFAOYSA-N
XLogP0.35
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703831
4-[(2-hydroxy-4-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703840
4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704103
5-methoxy-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723589
5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723599
5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756212
4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136759211
4-[5-hydroxypentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136766321
4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136772465
4-[(3-ethyl-2-hydroxypentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136817764
4-[(2-hydroxy-2-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136819386
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136847972

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136951265) is 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC2(CCO)CC2)nc[nH]c1=O.
What is the InChIKey of 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is FKNQMCMAVGRQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-17-8-9(13-7-14-10(8)16)12-6-11(2-3-11)4-5-15/h7,15H,2-6H2,1H3,(H2,12,13,14,16).
What are the key properties of 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136951265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).