2-cyclopropyl-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one

C13H21N3O2 — CID 136870600

IUPAC2-cyclopropyl-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(O)C(C)(C)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H21N3O2/c1-12(2,13(3,4)18)16-9-7-10(17)15-11(14-9)8-5-6-8/h7-8,18H,5-6H2,1-4H3,(H2,14,15,16,17)
InChIKeyVRWXRLSGPPUDPB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.61
Rot. Bonds4

About 2-cyclopropyl-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136870600) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136870600
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-cyclopropyl-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(O)C(C)(C)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H21N3O2/c1-12(2,13(3,4)18)16-9-7-10(17)15-11(14-9)8-5-6-8/h7-8,18H,5-6H2,1-4H3,(H2,14,15,16,17)
InChIKeyVRWXRLSGPPUDPB-UHFFFAOYSA-N
XLogP1.61
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136870600) is 2-cyclopropyl-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one is CC(C)(O)C(C)(C)Nc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is VRWXRLSGPPUDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-12(2,13(3,4)18)16-9-7-10(17)15-11(14-9)8-5-6-8/h7-8,18H,5-6H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136870600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).