5-chloro-4-(cyclopropylmethylamino)-1H-pyrimidin-6-one

C8H10ClN3O — CID 136973543

IUPAC5-chloro-4-(cyclopropylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2CC2)c1Cl
InChIInChI=1S/C8H10ClN3O/c9-6-7(10-3-5-1-2-5)11-4-12-8(6)13/h4-5H,1-3H2,(H2,10,11,12,13)
InChIKeyHSOKBRXYVOUVKV-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.25
Rot. Bonds3

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

5-chloro-4-(cyclopropylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136973543) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 5-chloro-4-(cyclopropylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(cyclopropylmethylamino)-1H-pyrimidin-6-one
PubChem CID136973543
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name5-chloro-4-(cyclopropylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2CC2)c1Cl
InChIInChI=1S/C8H10ClN3O/c9-6-7(10-3-5-1-2-5)11-4-12-8(6)13/h4-5H,1-3H2,(H2,10,11,12,13)
InChIKeyHSOKBRXYVOUVKV-UHFFFAOYSA-N
XLogP1.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136976590
5-chloro-4-(3-fluoropropylamino)-1H-pyrimidin-6-one
CID 137273178
5-chloro-2-(cyclopropylmethylamino)-1H-pyrimidin-6-one
CID 133683226
4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one
CID 136689845
5-chloro-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750469
4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one
CID 136755778
5-chloro-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764996
5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768843
5-chloro-4-(4-chlorobutylamino)-1H-pyrimidin-6-one
CID 136772480
5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824074
5-chloro-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one
CID 136852203
5-chloro-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852214

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(cyclopropylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(cyclopropylmethylamino)-1H-pyrimidin-6-one (CID 136973543) is 5-chloro-4-(cyclopropylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(cyclopropylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(cyclopropylmethylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCC2CC2)c1Cl.
What is the InChIKey of 5-chloro-4-(cyclopropylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is HSOKBRXYVOUVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c9-6-7(10-3-5-1-2-5)11-4-12-8(6)13/h4-5H,1-3H2,(H2,10,11,12,13).
What are the key properties of 5-chloro-4-(cyclopropylmethylamino)-1H-pyrimidin-6-one?
5-chloro-4-(cyclopropylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 199.64 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(cyclopropylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).