5-chloro-4-(2-methylpropylamino)-1H-pyrimidin-6-one

C8H12ClN3O — CID 136973512

IUPAC5-chloro-4-(2-methylpropylamino)-1H-pyrimidin-6-one
SMILESCC(C)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H12ClN3O/c1-5(2)3-10-7-6(9)8(13)12-4-11-7/h4-5H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyWDPXBLRWYIAZLE-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.49
Rot. Bonds3

About 5-chloro-4-(2-methylpropylamino)-1H-pyrimidin-6-one

5-chloro-4-(2-methylpropylamino)-1H-pyrimidin-6-one (PubChem CID 136973512) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 5-chloro-4-(2-methylpropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-methylpropylamino)-1H-pyrimidin-6-one
PubChem CID136973512
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name5-chloro-4-(2-methylpropylamino)-1H-pyrimidin-6-one
SMILESCC(C)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H12ClN3O/c1-5(2)3-10-7-6(9)8(13)12-4-11-7/h4-5H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyWDPXBLRWYIAZLE-UHFFFAOYSA-N
XLogP1.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
5-chloro-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786686
5-chloro-4-[propyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971134
5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975605
5-chloro-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136976590
5-chloro-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 137009782
5-chloro-4-(3-fluoropropylamino)-1H-pyrimidin-6-one
CID 137273178
5-chloro-2,4-bis(ethylamino)-1H-pyrimidin-6-one
CID 136186056
5-methyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136291337
4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136957461
5-chloro-2-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 133619003
5-chloro-2-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 133664691

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-methylpropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-methylpropylamino)-1H-pyrimidin-6-one (CID 136973512) is 5-chloro-4-(2-methylpropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-methylpropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-methylpropylamino)-1H-pyrimidin-6-one is CC(C)CNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(2-methylpropylamino)-1H-pyrimidin-6-one?
The InChIKey is WDPXBLRWYIAZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-5(2)3-10-7-6(9)8(13)12-4-11-7/h4-5H,3H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 5-chloro-4-(2-methylpropylamino)-1H-pyrimidin-6-one?
5-chloro-4-(2-methylpropylamino)-1H-pyrimidin-6-one has a molecular weight of 201.66 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-methylpropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).