4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C13H21N3O2 — CID 136951256

IUPAC4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2(CCO)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-9(2)12-15-10(7-11(18)16-12)14-8-13(3-4-13)5-6-17/h7,9,17H,3-6,8H2,1-2H3,(H2,14,15,16,18)
InChIKeyWSCYBAUWLAFRSM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds6

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

4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136951256) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136951256
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2(CCO)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-9(2)12-15-10(7-11(18)16-12)14-8-13(3-4-13)5-6-17/h7,9,17H,3-6,8H2,1-2H3,(H2,14,15,16,18)
InChIKeyWSCYBAUWLAFRSM-UHFFFAOYSA-N
XLogP1.47
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136703822
2-cyclopropyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703823
2-ethyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703830
2-cyclopropyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703832
4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704097
2-cyclopropyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704098
2-ethyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704104
4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723591
2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723592
2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723598
4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723601
2-cyclopropyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723602

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136951256) is 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCC2(CCO)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is WSCYBAUWLAFRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)12-15-10(7-11(18)16-12)14-8-13(3-4-13)5-6-17/h7,9,17H,3-6,8H2,1-2H3,(H2,14,15,16,18).
What are the key properties of 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136951256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).