1-[(6-methylpyrazin-2-yl)amino]-2-phenylpropan-2-ol

C14H17N3O — CID 133471209

IUPAC1-[(6-methylpyrazin-2-yl)amino]-2-phenylpropan-2-ol
SMILESCc1cncc(NCC(C)(O)c2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-11-8-15-9-13(17-11)16-10-14(2,18)12-6-4-3-5-7-12/h3-9,18H,10H2,1-2H3,(H,16,17)
InChIKeyPKVIARYLRHNHFG-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.10
Rot. Bonds4

About 1-[(6-methylpyrazin-2-yl)amino]-2-phenylpropan-2-ol

1-[(6-methylpyrazin-2-yl)amino]-2-phenylpropan-2-ol (PubChem CID 133471209) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[(6-methylpyrazin-2-yl)amino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-methylpyrazin-2-yl)amino]-2-phenylpropan-2-ol
PubChem CID133471209
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[(6-methylpyrazin-2-yl)amino]-2-phenylpropan-2-ol
SMILESCc1cncc(NCC(C)(O)c2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-11-8-15-9-13(17-11)16-10-14(2,18)12-6-4-3-5-7-12/h3-9,18H,10H2,1-2H3,(H,16,17)
InChIKeyPKVIARYLRHNHFG-UHFFFAOYSA-N
XLogP2.10
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(6-methylpyrazin-2-yl)amino]-2-phenylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3,6-dimethylpyrazin-2-yl)amino]-2-phenylpropan-2-ol
CID 133471206
2-[(6-methylpyrazin-2-yl)amino]-1-(4-phenylphenyl)ethanol
CID 133477153
methyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate
CID 66455911
N-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine
CID 133470236
1-(4-tert-butylanilino)-2-phenylpropan-2-ol
CID 62373659
2-(2-chlorophenyl)-1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-2-ol
CID 133472206
1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride
CID 173355754
6-methyl-N-[2-(2-phenylphenoxy)ethyl]pyrazin-2-amine
CID 133468807
(1S)-1-(furan-2-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanol
CID 97351936
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
1-(3,5-dichloroanilino)-2-phenylpropan-2-ol
CID 62373813
1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol
CID 62375666

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methylpyrazin-2-yl)amino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[(6-methylpyrazin-2-yl)amino]-2-phenylpropan-2-ol (CID 133471209) is 1-[(6-methylpyrazin-2-yl)amino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[(6-methylpyrazin-2-yl)amino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[(6-methylpyrazin-2-yl)amino]-2-phenylpropan-2-ol is Cc1cncc(NCC(C)(O)c2ccccc2)n1.
What is the InChIKey of 1-[(6-methylpyrazin-2-yl)amino]-2-phenylpropan-2-ol?
The InChIKey is PKVIARYLRHNHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-8-15-9-13(17-11)16-10-14(2,18)12-6-4-3-5-7-12/h3-9,18H,10H2,1-2H3,(H,16,17).
What are the key properties of 1-[(6-methylpyrazin-2-yl)amino]-2-phenylpropan-2-ol?
1-[(6-methylpyrazin-2-yl)amino]-2-phenylpropan-2-ol has a molecular weight of 243.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methylpyrazin-2-yl)amino]-2-phenylpropan-2-ol is sourced from PubChem (CID 133471209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).