2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one

C9H13N3O2 — CID 136973817

IUPAC2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCO)nc(C2CC2)[nH]1
InChIInChI=1S/C9H13N3O2/c13-4-3-10-7-5-8(14)12-9(11-7)6-1-2-6/h5-6,13H,1-4H2,(H2,10,11,12,14)
InChIKeyRNNRPGCFWOLPCK-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.05
Rot. Bonds4

About 2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one

2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136973817) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
PubChem CID136973817
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCO)nc(C2CC2)[nH]1
InChIInChI=1S/C9H13N3O2/c13-4-3-10-7-5-8(14)12-9(11-7)6-1-2-6/h5-6,13H,1-4H2,(H2,10,11,12,14)
InChIKeyRNNRPGCFWOLPCK-UHFFFAOYSA-N
XLogP0.05
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974135
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841
2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 137016695
5-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958938
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136976584
4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136974636
tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate
CID 136977515
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
2-cyclopropyl-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976032
2-cyclopropyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136737816

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one (CID 136973817) is 2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one is O=c1cc(NCCO)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is RNNRPGCFWOLPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-4-3-10-7-5-8(14)12-9(11-7)6-1-2-6/h5-6,13H,1-4H2,(H2,10,11,12,14).
What are the key properties of 2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).