3-(1H-imidazol-5-yl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol

C11H15N5O — CID 59845993

IUPAC3-(1H-imidazol-5-yl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol
SMILESCc1ccnc(NC(CO)Cc2cnc[nH]2)n1
InChIInChI=1S/C11H15N5O/c1-8-2-3-13-11(15-8)16-10(6-17)4-9-5-12-7-14-9/h2-3,5,7,10,17H,4,6H2,1H3,(H,12,14)(H,13,15,16)
InChIKeyNQFPRNSDXXWVSR-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.52
Rot. Bonds5

About 3-(1H-imidazol-5-yl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol

3-(1H-imidazol-5-yl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol (PubChem CID 59845993) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol
PubChem CID59845993
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name3-(1H-imidazol-5-yl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol
SMILESCc1ccnc(NC(CO)Cc2cnc[nH]2)n1
InChIInChI=1S/C11H15N5O/c1-8-2-3-13-11(15-8)16-10(6-17)4-9-5-12-7-14-9/h2-3,5,7,10,17H,4,6H2,1H3,(H,12,14)(H,13,15,16)
InChIKeyNQFPRNSDXXWVSR-UHFFFAOYSA-N
XLogP0.52
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-imidazol-5-yl)-N-methyl-3-tritiooxypropan-2-amine
CID 59068377
4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103703910
3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide
CID 53261870
N-but-3-en-2-yl-4-methylpyrimidin-2-amine
CID 115691968
N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 19593545
3-(1H-imidazol-5-yl)-2-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 107864154
(2S)-2-(1H-imidazol-5-ylmethylamino)-3-phenylpropan-1-ol
CID 102610097
2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 112683347
N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide
CID 118339819
(2S)-3-(1H-imidazol-5-yl)-2-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methylamino]propan-1-ol
CID 126467706
2-[(4-methylpyrimidin-2-yl)amino]propanamide
CID 62959080
N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine
CID 62958383

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol?
The IUPAC name of 3-(1H-imidazol-5-yl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol (CID 59845993) is 3-(1H-imidazol-5-yl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-(1H-imidazol-5-yl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol is Cc1ccnc(NC(CO)Cc2cnc[nH]2)n1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol?
The InChIKey is NQFPRNSDXXWVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-2-3-13-11(15-8)16-10(6-17)4-9-5-12-7-14-9/h2-3,5,7,10,17H,4,6H2,1H3,(H,12,14)(H,13,15,16).
What are the key properties of 3-(1H-imidazol-5-yl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol?
3-(1H-imidazol-5-yl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol has a molecular weight of 233.28 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 59845993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).