2-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol

C15H19N3O — CID 137013044

IUPAC2-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol
SMILESCc1nc(-c2ccccc2O)nc(C)c1CCCN
InChIInChI=1S/C15H19N3O/c1-10-12(7-5-9-16)11(2)18-15(17-10)13-6-3-4-8-14(13)19/h3-4,6,8,19H,5,7,9,16H2,1-2H3
InChIKeyZZYNKYQYNHIBHI-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.36
Rot. Bonds4

About 2-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol

2-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol (PubChem CID 137013044) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol
PubChem CID137013044
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol
SMILESCc1nc(-c2ccccc2O)nc(C)c1CCCN
InChIInChI=1S/C15H19N3O/c1-10-12(7-5-9-16)11(2)18-15(17-10)13-6-3-4-8-14(13)19/h3-4,6,8,19H,5,7,9,16H2,1-2H3
InChIKeyZZYNKYQYNHIBHI-UHFFFAOYSA-N
XLogP2.36
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol
CID 137013043
3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine
CID 28916529
3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 115534345
2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 137013046
3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 107924268
3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 106793273
[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride
CID 82021867
3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 62746134
3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine
CID 62744192
3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 63088370
3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 62744903
2-(4-aminobutyl)benzene-1,3-diol
CID 117278743

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol?
The IUPAC name of 2-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol (CID 137013044) is 2-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol is Cc1nc(-c2ccccc2O)nc(C)c1CCCN.
What is the InChIKey of 2-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol?
The InChIKey is ZZYNKYQYNHIBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-12(7-5-9-16)11(2)18-15(17-10)13-6-3-4-8-14(13)19/h3-4,6,8,19H,5,7,9,16H2,1-2H3.
What are the key properties of 2-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol?
2-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol has a molecular weight of 257.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol is sourced from PubChem (CID 137013044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).