[4-[2-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]methanol

C15H19N3O — CID 164739246

IUPAC[4-[2-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]methanol
SMILESCC(C)NCc1ccccc1-c1ccnc(CO)n1
InChIInChI=1S/C15H19N3O/c1-11(2)17-9-12-5-3-4-6-13(12)14-7-8-16-15(10-19)18-14/h3-8,11,17,19H,9-10H2,1-2H3
InChIKeyBFJDBGYOBHCOLW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.13
Rot. Bonds5

About [4-[2-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]methanol

[4-[2-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]methanol (PubChem CID 164739246) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [4-[2-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]methanol
PubChem CID164739246
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[4-[2-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]methanol
SMILESCC(C)NCc1ccccc1-c1ccnc(CO)n1
InChIInChI=1S/C15H19N3O/c1-11(2)17-9-12-5-3-4-6-13(12)14-7-8-16-15(10-19)18-14/h3-8,11,17,19H,9-10H2,1-2H3
InChIKeyBFJDBGYOBHCOLW-UHFFFAOYSA-N
XLogP2.13
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-quinolin-2-ylphenyl)methyl]propan-2-amine
CID 116645083
[2-(2-methylpyrimidin-4-yl)phenyl]methanol
CID 154273699
[2-(2-ethylpyrimidin-4-yl)phenyl]methanamine
CID 105466934
N-[[2-(6-ethylpyrazin-2-yl)phenyl]methyl]propan-2-amine
CID 164958671
(4-pyridin-2-ylpyrimidin-2-yl)methanol
CID 116899498
[2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol
CID 56722954
N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine
CID 54910961
3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol
CID 116899714
N-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine
CID 116898542
N-[(2-naphthalen-2-ylphenyl)methyl]propan-2-amine
CID 63424194
N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine
CID 106646431
1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine
CID 84682667

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]methanol?
The IUPAC name of [4-[2-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]methanol (CID 164739246) is [4-[2-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-[2-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]methanol?
The canonical SMILES for [4-[2-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]methanol is CC(C)NCc1ccccc1-c1ccnc(CO)n1.
What is the InChIKey of [4-[2-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]methanol?
The InChIKey is BFJDBGYOBHCOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)17-9-12-5-3-4-6-13(12)14-7-8-16-15(10-19)18-14/h3-8,11,17,19H,9-10H2,1-2H3.
What are the key properties of [4-[2-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]methanol?
[4-[2-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]methanol has a molecular weight of 257.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]methanol is sourced from PubChem (CID 164739246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).