4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol

C14H17N3O — CID 136889396

IUPAC4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol
SMILESCCCNCc1cnc(-c2ccc(O)cc2)nc1
InChIInChI=1S/C14H17N3O/c1-2-7-15-8-11-9-16-14(17-10-11)12-3-5-13(18)6-4-12/h3-6,9-10,15,18H,2,7-8H2,1H3
InChIKeyNEMAJICHDUANOO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.35
Rot. Bonds5

About 4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol

4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol (PubChem CID 136889396) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol
PubChem CID136889396
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol
SMILESCCCNCc1cnc(-c2ccc(O)cc2)nc1
InChIInChI=1S/C14H17N3O/c1-2-7-15-8-11-9-16-14(17-10-11)12-3-5-13(18)6-4-12/h3-6,9-10,15,18H,2,7-8H2,1H3
InChIKeyNEMAJICHDUANOO-UHFFFAOYSA-N
XLogP2.35
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55114017
N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 62756954
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756408
N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine
CID 121405389
N-[[2-(3,5-dimethoxyphenyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 103399703
N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 60976157
4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol
CID 137177178
4-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 135973748
N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine
CID 62757310
4-(5-methylpyrimidin-2-yl)phenol
CID 135581358
4-[5-(2-aminopropyl)pyrimidin-2-yl]phenol
CID 136889444
N-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 103375185

Frequently Asked Questions

What is the IUPAC name of 4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol?
The IUPAC name of 4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol (CID 136889396) is 4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol is CCCNCc1cnc(-c2ccc(O)cc2)nc1.
What is the InChIKey of 4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol?
The InChIKey is NEMAJICHDUANOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-7-15-8-11-9-16-14(17-10-11)12-3-5-13(18)6-4-12/h3-6,9-10,15,18H,2,7-8H2,1H3.
What are the key properties of 4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol?
4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol has a molecular weight of 243.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol is sourced from PubChem (CID 136889396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).