2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol

C14H16N6O — CID 115669387

IUPAC2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol
SMILESNc1nc(NC(CO)Cc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C14H16N6O/c15-14-19-12-11(16-8-17-12)13(20-14)18-10(7-21)6-9-4-2-1-3-5-9/h1-5,8,10,21H,6-7H2,(H4,15,16,17,18,19,20)
InChIKeyKQIHYHIWELIWAL-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.95
Rot. Bonds5

About 2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol

2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol (PubChem CID 115669387) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol
PubChem CID115669387
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol
SMILESNc1nc(NC(CO)Cc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C14H16N6O/c15-14-19-12-11(16-8-17-12)13(20-14)18-10(7-21)6-9-4-2-1-3-5-9/h1-5,8,10,21H,6-7H2,(H4,15,16,17,18,19,20)
InChIKeyKQIHYHIWELIWAL-UHFFFAOYSA-N
XLogP0.95
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(2-chloro-7H-purin-6-yl)amino]-3-phenylpropan-1-ol
CID 56622135
6-N-(1-phenylpropyl)-7H-purine-2,6-diamine
CID 104623517
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80828045
6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine
CID 139906156
2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80830612
2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 79916251
6-N-[(3S)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950738
6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623197
4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136975643
4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol
CID 86271711
2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol
CID 114784943
(2S)-2-[(2-amino-7H-purin-6-yl)amino]-4-methylsulfanylbutanoic acid
CID 71826393

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol (CID 115669387) is 2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol is Nc1nc(NC(CO)Cc2ccccc2)c2[nH]cnc2n1.
What is the InChIKey of 2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol?
The InChIKey is KQIHYHIWELIWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c15-14-19-12-11(16-8-17-12)13(20-14)18-10(7-21)6-9-4-2-1-3-5-9/h1-5,8,10,21H,6-7H2,(H4,15,16,17,18,19,20).
What are the key properties of 2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol?
2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol has a molecular weight of 284.32 g/mol, XLogP of 0.95, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 115669387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).