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

C7H10ClN3O2 — CID 136973947

IUPAC5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
SMILESCC(O)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C7H10ClN3O2/c1-4(12)2-9-6-5(8)7(13)11-3-10-6/h3-4,12H,2H2,1H3,(H2,9,10,11,13)
InChIKeySVOIKVKXNAFJMM-UHFFFAOYSA-N
MW203.63 g/mol
LogP0.22
Rot. Bonds3

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

5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136973947) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
PubChem CID136973947
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
SMILESCC(O)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C7H10ClN3O2/c1-4(12)2-9-6-5(8)7(13)11-3-10-6/h3-4,12H,2H2,1H3,(H2,9,10,11,13)
InChIKeySVOIKVKXNAFJMM-UHFFFAOYSA-N
XLogP0.22
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(2-chloropropylamino)-1H-pyrimidin-6-one
CID 136971856
5-chloro-4-(2-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136977253
5-chloro-4-(2,3,3-trimethylbutylamino)-1H-pyrimidin-6-one
CID 136976712
5-chloro-4-[[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
CID 136978882
5-chloro-4-[2-(1,3-thiazol-2-yl)propylamino]-1H-pyrimidin-6-one
CID 136896856
4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137008656
5-chloro-4-[2-(2-chloroethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704114
methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136973720
5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one
CID 136976977
5-chloro-4-(3-chloropropylamino)-1H-pyrimidin-6-one
CID 136971845
4-[[(E)-but-2-enyl]amino]-5-chloro-1H-pyrimidin-6-one
CID 137259056
5-chloro-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819393

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one (CID 136973947) is 5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one is CC(O)CNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is SVOIKVKXNAFJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c1-4(12)2-9-6-5(8)7(13)11-3-10-6/h3-4,12H,2H2,1H3,(H2,9,10,11,13).
What are the key properties of 5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one?
5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 203.63 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).