[4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol

C15H19N3O — CID 107232280

IUPAC[4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol
SMILESCCCc1cc(NCc2ccc(CO)cc2)ncn1
InChIInChI=1S/C15H19N3O/c1-2-3-14-8-15(18-11-17-14)16-9-12-4-6-13(10-19)7-5-12/h4-8,11,19H,2-3,9-10H2,1H3,(H,16,17,18)
InChIKeyXSVSSIOMQDJRQD-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.53
Rot. Bonds6

About [4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol

[4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol (PubChem CID 107232280) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol
PubChem CID107232280
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol
SMILESCCCc1cc(NCc2ccc(CO)cc2)ncn1
InChIInChI=1S/C15H19N3O/c1-2-3-14-8-15(18-11-17-14)16-9-12-4-6-13(10-19)7-5-12/h4-8,11,19H,2-3,9-10H2,1H3,(H,16,17,18)
InChIKeyXSVSSIOMQDJRQD-UHFFFAOYSA-N
XLogP2.53
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine
CID 61240335
N-(2-phenylethyl)-6-propylpyrimidin-4-amine
CID 61240140
3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol
CID 106144540
N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
CID 61241880
methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate
CID 61240139
N-(2-methylbutyl)-6-propylpyrimidin-4-amine
CID 62694370
2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol
CID 114155486
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-propylpyrimidin-4-amine
CID 61240534
N-(1,3-benzodioxol-4-ylmethyl)-6-propylpyrimidin-4-amine
CID 61242269
N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine
CID 61240730
2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol
CID 107866139
6-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79363066

Frequently Asked Questions

What is the IUPAC name of [4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol (CID 107232280) is [4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol is CCCc1cc(NCc2ccc(CO)cc2)ncn1.
What is the InChIKey of [4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
The InChIKey is XSVSSIOMQDJRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-3-14-8-15(18-11-17-14)16-9-12-4-6-13(10-19)7-5-12/h4-8,11,19H,2-3,9-10H2,1H3,(H,16,17,18).
What are the key properties of [4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
[4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol has a molecular weight of 257.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107232280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).