4-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one

C13H18ClN5O — CID 135963317

IUPAC4-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)Nc1nc([C@H](C)Cn2cc(Cl)cn2)cc(=O)[nH]1
InChIInChI=1S/C13H18ClN5O/c1-8(2)16-13-17-11(4-12(20)18-13)9(3)6-19-7-10(14)5-15-19/h4-5,7-9H,6H2,1-3H3,(H2,16,17,18,20)/t9-/m1/s1
InChIKeyGPENZGAORBZFMJ-SECBINFHSA-N
MW295.77 g/mol
LogP2.24
Rot. Bonds5

About 4-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one

4-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 135963317) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID135963317
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name4-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)Nc1nc([C@H](C)Cn2cc(Cl)cn2)cc(=O)[nH]1
InChIInChI=1S/C13H18ClN5O/c1-8(2)16-13-17-11(4-12(20)18-13)9(3)6-19-7-10(14)5-15-19/h4-5,7-9H,6H2,1-3H3,(H2,16,17,18,20)/t9-/m1/s1
InChIKeyGPENZGAORBZFMJ-SECBINFHSA-N
XLogP2.24
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one (CID 135963317) is 4-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one is CC(C)Nc1nc([C@H](C)Cn2cc(Cl)cn2)cc(=O)[nH]1.
What is the InChIKey of 4-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is GPENZGAORBZFMJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-8(2)16-13-17-11(4-12(20)18-13)9(3)6-19-7-10(14)5-15-19/h4-5,7-9H,6H2,1-3H3,(H2,16,17,18,20)/t9-/m1/s1.
What are the key properties of 4-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
4-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 295.77 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135963317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).