4-[5-(1-aminopropan-2-yl)-4,6-dimethylpyrimidin-2-yl]benzene-1,2-diol

C15H19N3O2 — CID 136889452

IUPAC4-[5-(1-aminopropan-2-yl)-4,6-dimethylpyrimidin-2-yl]benzene-1,2-diol
SMILESCc1nc(-c2ccc(O)c(O)c2)nc(C)c1C(C)CN
InChIInChI=1S/C15H19N3O2/c1-8(7-16)14-9(2)17-15(18-10(14)3)11-4-5-12(19)13(20)6-11/h4-6,8,19-20H,7,16H2,1-3H3
InChIKeyCQZSLZHOEWQZNS-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.23
Rot. Bonds3

About 4-[5-(1-aminopropan-2-yl)-4,6-dimethylpyrimidin-2-yl]benzene-1,2-diol

4-[5-(1-aminopropan-2-yl)-4,6-dimethylpyrimidin-2-yl]benzene-1,2-diol (PubChem CID 136889452) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[5-(1-aminopropan-2-yl)-4,6-dimethylpyrimidin-2-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[5-(1-aminopropan-2-yl)-4,6-dimethylpyrimidin-2-yl]benzene-1,2-diol
PubChem CID136889452
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[5-(1-aminopropan-2-yl)-4,6-dimethylpyrimidin-2-yl]benzene-1,2-diol
SMILESCc1nc(-c2ccc(O)c(O)c2)nc(C)c1C(C)CN
InChIInChI=1S/C15H19N3O2/c1-8(7-16)14-9(2)17-15(18-10(14)3)11-4-5-12(19)13(20)6-11/h4-6,8,19-20H,7,16H2,1-3H3
InChIKeyCQZSLZHOEWQZNS-UHFFFAOYSA-N
XLogP2.23
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62745958
2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62745786
4-[5-[(1S)-1-hydroxyethyl]-4-methylpyrimidin-2-yl]benzene-1,2-diol
CID 136938643
4-[4-methyl-5-[1-(methylamino)ethyl]pyrimidin-2-yl]benzene-1,2-diol
CID 136889408
2-[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 55113438
2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol
CID 62913656
4-[5-(2-aminobutyl)pyrimidin-2-yl]benzene-1,2-diol
CID 136889447
2-(3,4-dihydroxyphenyl)-6-methylpyrimidine-4-carboxylic acid
CID 136889419
4-[5-(1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889543
2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773
4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol
CID 115023925
2-[2-[(dimethylamino)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 79088187

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-aminopropan-2-yl)-4,6-dimethylpyrimidin-2-yl]benzene-1,2-diol?
The IUPAC name of 4-[5-(1-aminopropan-2-yl)-4,6-dimethylpyrimidin-2-yl]benzene-1,2-diol (CID 136889452) is 4-[5-(1-aminopropan-2-yl)-4,6-dimethylpyrimidin-2-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[5-(1-aminopropan-2-yl)-4,6-dimethylpyrimidin-2-yl]benzene-1,2-diol?
The canonical SMILES for 4-[5-(1-aminopropan-2-yl)-4,6-dimethylpyrimidin-2-yl]benzene-1,2-diol is Cc1nc(-c2ccc(O)c(O)c2)nc(C)c1C(C)CN.
What is the InChIKey of 4-[5-(1-aminopropan-2-yl)-4,6-dimethylpyrimidin-2-yl]benzene-1,2-diol?
The InChIKey is CQZSLZHOEWQZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-8(7-16)14-9(2)17-15(18-10(14)3)11-4-5-12(19)13(20)6-11/h4-6,8,19-20H,7,16H2,1-3H3.
What are the key properties of 4-[5-(1-aminopropan-2-yl)-4,6-dimethylpyrimidin-2-yl]benzene-1,2-diol?
4-[5-(1-aminopropan-2-yl)-4,6-dimethylpyrimidin-2-yl]benzene-1,2-diol has a molecular weight of 273.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-aminopropan-2-yl)-4,6-dimethylpyrimidin-2-yl]benzene-1,2-diol is sourced from PubChem (CID 136889452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).