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

C13H15N3O — CID 136889444

IUPAC4-[5-(2-aminopropyl)pyrimidin-2-yl]phenol
SMILESCC(N)Cc1cnc(-c2ccc(O)cc2)nc1
InChIInChI=1S/C13H15N3O/c1-9(14)6-10-7-15-13(16-8-10)11-2-4-12(17)5-3-11/h2-5,7-9,17H,6,14H2,1H3
InChIKeyNSIULGMTPRYIDC-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.74
Rot. Bonds3

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

4-[5-(2-aminopropyl)pyrimidin-2-yl]phenol (PubChem CID 136889444) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[5-(2-aminopropyl)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-aminopropyl)pyrimidin-2-yl]phenol
PubChem CID136889444
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-[5-(2-aminopropyl)pyrimidin-2-yl]phenol
SMILESCC(N)Cc1cnc(-c2ccc(O)cc2)nc1
InChIInChI=1S/C13H15N3O/c1-9(14)6-10-7-15-13(16-8-10)11-2-4-12(17)5-3-11/h2-5,7-9,17H,6,14H2,1H3
InChIKeyNSIULGMTPRYIDC-UHFFFAOYSA-N
XLogP1.74
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine
CID 62757182
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]propan-2-amine
CID 82803660
4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol
CID 139657253
4-(5-methylpyrimidin-2-yl)phenol
CID 135581358
1-[2-(3-nitrophenyl)pyrimidin-5-yl]propan-2-amine
CID 62757546
4-[5-(2-aminobutyl)pyrimidin-2-yl]benzene-1,2-diol
CID 136889447
1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine
CID 62755555
1-[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]propan-2-amine
CID 65197639
4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol
CID 137177178

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-aminopropyl)pyrimidin-2-yl]phenol?
The IUPAC name of 4-[5-(2-aminopropyl)pyrimidin-2-yl]phenol (CID 136889444) is 4-[5-(2-aminopropyl)pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[5-(2-aminopropyl)pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[5-(2-aminopropyl)pyrimidin-2-yl]phenol is CC(N)Cc1cnc(-c2ccc(O)cc2)nc1.
What is the InChIKey of 4-[5-(2-aminopropyl)pyrimidin-2-yl]phenol?
The InChIKey is NSIULGMTPRYIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(14)6-10-7-15-13(16-8-10)11-2-4-12(17)5-3-11/h2-5,7-9,17H,6,14H2,1H3.
What are the key properties of 4-[5-(2-aminopropyl)pyrimidin-2-yl]phenol?
4-[5-(2-aminopropyl)pyrimidin-2-yl]phenol has a molecular weight of 229.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-aminopropyl)pyrimidin-2-yl]phenol is sourced from PubChem (CID 136889444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).