N-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine

C16H19N5 — CID 69097613

IUPACN-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine
SMILESCC(C)(C)[C@H](Nc1ncnc2nc[nH]c12)c1ccccc1
InChIInChI=1S/C16H19N5/c1-16(2,3)13(11-7-5-4-6-8-11)21-15-12-14(18-9-17-12)19-10-20-15/h4-10,13H,1-3H3,(H2,17,18,19,20,21)/t13-/m1/s1
InChIKeyNLQVHNBDYGSGGR-CYBMUJFWSA-N
MW281.36 g/mol
LogP3.55
Rot. Bonds3

About N-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine

N-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine (PubChem CID 69097613) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine
PubChem CID69097613
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine
SMILESCC(C)(C)[C@H](Nc1ncnc2nc[nH]c12)c1ccccc1
InChIInChI=1S/C16H19N5/c1-16(2,3)13(11-7-5-4-6-8-11)21-15-12-14(18-9-17-12)19-10-20-15/h4-10,13H,1-3H3,(H2,17,18,19,20,21)/t13-/m1/s1
InChIKeyNLQVHNBDYGSGGR-CYBMUJFWSA-N
XLogP3.55
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-phenylethyl]-7H-purin-6-amine
CID 2155048
1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 63761376
3-methyl-2-(7H-purin-6-ylamino)butanoic acid
CID 4136995
N-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine
CID 164967090
N-but-3-yn-2-yl-7H-purin-6-amine
CID 114417890
N-[1-(3-phenyl-1H-benzimidazol-3-ium-2-yl)ethyl]-7H-purin-6-amine
CID 123434309
2-[1-(7H-purin-6-ylamino)ethyl]-3H-quinazolin-4-one
CID 136602511
3-[(1S)-1-phenylethyl]-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]pyrrolo[1,2-a][1,3,5]triazin-4-one
CID 70979544
N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine
CID 40514758
3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
CID 5042339
N-hexan-3-yl-7H-purin-6-amine
CID 62045757
N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 61397737

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine?
The IUPAC name of N-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine (CID 69097613) is N-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine is CC(C)(C)[C@H](Nc1ncnc2nc[nH]c12)c1ccccc1.
What is the InChIKey of N-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine?
The InChIKey is NLQVHNBDYGSGGR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N5/c1-16(2,3)13(11-7-5-4-6-8-11)21-15-12-14(18-9-17-12)19-10-20-15/h4-10,13H,1-3H3,(H2,17,18,19,20,21)/t13-/m1/s1.
What are the key properties of N-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine?
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine has a molecular weight of 281.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine is sourced from PubChem (CID 69097613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).