(2S)-3-[4-(dimethylamino)phenyl]-2-(pyrimidin-4-ylamino)propan-1-ol

C15H20N4O — CID 97151168

IUPAC(2S)-3-[4-(dimethylamino)phenyl]-2-(pyrimidin-4-ylamino)propan-1-ol
SMILESCN(C)c1ccc(C[C@@H](CO)Nc2ccncn2)cc1
InChIInChI=1S/C15H20N4O/c1-19(2)14-5-3-12(4-6-14)9-13(10-20)18-15-7-8-16-11-17-15/h3-8,11,13,20H,9-10H2,1-2H3,(H,16,17,18)/t13-/m0/s1
InChIKeyGNCCXQDUJNUJJE-ZDUSSCGKSA-N
MW272.35 g/mol
LogP1.56
Rot. Bonds6

About (2S)-3-[4-(dimethylamino)phenyl]-2-(pyrimidin-4-ylamino)propan-1-ol

(2S)-3-[4-(dimethylamino)phenyl]-2-(pyrimidin-4-ylamino)propan-1-ol (PubChem CID 97151168) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S)-3-[4-(dimethylamino)phenyl]-2-(pyrimidin-4-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-3-[4-(dimethylamino)phenyl]-2-(pyrimidin-4-ylamino)propan-1-ol
PubChem CID97151168
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2S)-3-[4-(dimethylamino)phenyl]-2-(pyrimidin-4-ylamino)propan-1-ol
SMILESCN(C)c1ccc(C[C@@H](CO)Nc2ccncn2)cc1
InChIInChI=1S/C15H20N4O/c1-19(2)14-5-3-12(4-6-14)9-13(10-20)18-15-7-8-16-11-17-15/h3-8,11,13,20H,9-10H2,1-2H3,(H,16,17,18)/t13-/m0/s1
InChIKeyGNCCXQDUJNUJJE-ZDUSSCGKSA-N
XLogP1.56
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium
CID 10803
2-({6-[(3-Methylphenyl)amino]pyrimidin-4-yl}amino)ethan-1-ol
CID 5328382
Trans-4-{[2-(Butylamino)-5-(Pyridin-2-Yl)pyrimidin-4-Yl]amino}cyclohexanol
CID 71819732
3-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 72793042
4-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol
CID 72793043
4-[[2-(Butylamino)-5-[5-[(cyclohexylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792907
4-[[2-(Butylamino)-5-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792909
N-benzyl-2-morpholinopyrimidin-4-amine
CID 46891015
2-((2-(3,4-Dihydroisoquinolin-2(1H)-yl)pyridin-4-yl)amino)ethanol
CID 9816863
2-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-5-methyl-pyridin-4-ylamino]-ethanol
CID 9943680
2,4-NH2Pyrimidin,5(4-dimeamino)benzyl
CID 13043080
2-(4-(2-Hydroxyethyl)phenylamino)-4-phenylpyrimidine-5-carbonitrile
CID 18516919

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[4-(dimethylamino)phenyl]-2-(pyrimidin-4-ylamino)propan-1-ol?
The IUPAC name of (2S)-3-[4-(dimethylamino)phenyl]-2-(pyrimidin-4-ylamino)propan-1-ol (CID 97151168) is (2S)-3-[4-(dimethylamino)phenyl]-2-(pyrimidin-4-ylamino)propan-1-ol.
What is the SMILES notation for (2S)-3-[4-(dimethylamino)phenyl]-2-(pyrimidin-4-ylamino)propan-1-ol?
The canonical SMILES for (2S)-3-[4-(dimethylamino)phenyl]-2-(pyrimidin-4-ylamino)propan-1-ol is CN(C)c1ccc(C[C@@H](CO)Nc2ccncn2)cc1.
What is the InChIKey of (2S)-3-[4-(dimethylamino)phenyl]-2-(pyrimidin-4-ylamino)propan-1-ol?
The InChIKey is GNCCXQDUJNUJJE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19(2)14-5-3-12(4-6-14)9-13(10-20)18-15-7-8-16-11-17-15/h3-8,11,13,20H,9-10H2,1-2H3,(H,16,17,18)/t13-/m0/s1.
What are the key properties of (2S)-3-[4-(dimethylamino)phenyl]-2-(pyrimidin-4-ylamino)propan-1-ol?
(2S)-3-[4-(dimethylamino)phenyl]-2-(pyrimidin-4-ylamino)propan-1-ol has a molecular weight of 272.35 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[4-(dimethylamino)phenyl]-2-(pyrimidin-4-ylamino)propan-1-ol is sourced from PubChem (CID 97151168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).