9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine

C14H17N7 — CID 117088690

IUPAC9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
SMILESCC(C)n1cnc2c(N)nc(NCc3cccnc3)nc21
InChIInChI=1S/C14H17N7/c1-9(2)21-8-18-11-12(15)19-14(20-13(11)21)17-7-10-4-3-5-16-6-10/h3-6,8-9H,7H2,1-2H3,(H3,15,17,19,20)
InChIKeyVCUZSBFHPRSICQ-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.00
Rot. Bonds4

About 9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine

9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine (PubChem CID 117088690) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine.

Molecular Properties

Compound Name9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
PubChem CID117088690
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
SMILESCC(C)n1cnc2c(N)nc(NCc3cccnc3)nc21
InChIInChI=1S/C14H17N7/c1-9(2)21-8-18-11-12(15)19-14(20-13(11)21)17-7-10-4-3-5-16-6-10/h3-6,8-9H,7H2,1-2H3,(H3,15,17,19,20)
InChIKeyVCUZSBFHPRSICQ-UHFFFAOYSA-N
XLogP2.00
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117080592
2-N-[(3R)-2-methylpentan-3-yl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 91472245
6-N-[2-(4-methoxyphenyl)ethyl]-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117080623
(3S,4S)-4-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]hexan-3-ol
CID 16718284
2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 59095048
6-N-(1,3-benzodioxol-5-yl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117080377
9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine
CID 117084811
(3R,4S)-2-methyl-4-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]hexan-3-ol
CID 16718335
3-[(6-amino-9-propan-2-ylpurin-2-yl)amino]propan-1-ol
CID 10634429
1-[[9-butan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]-2-methylpropan-2-ol;ethane
CID 142862962
2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine
CID 168994712
1-[3-[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]phenyl]ethanone
CID 117084022

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine?
The IUPAC name of 9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine (CID 117088690) is 9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine.
What is the SMILES notation for 9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine?
The canonical SMILES for 9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine is CC(C)n1cnc2c(N)nc(NCc3cccnc3)nc21.
What is the InChIKey of 9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine?
The InChIKey is VCUZSBFHPRSICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-9(2)21-8-18-11-12(15)19-14(20-13(11)21)17-7-10-4-3-5-16-6-10/h3-6,8-9H,7H2,1-2H3,(H3,15,17,19,20).
What are the key properties of 9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine?
9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine has a molecular weight of 283.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine is sourced from PubChem (CID 117088690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).