2-[2-(2-methylpurin-9-yl)propyl]-9-propan-2-ylpurin-6-amine

C17H21N9 — CID 163520258

IUPAC2-[2-(2-methylpurin-9-yl)propyl]-9-propan-2-ylpurin-6-amine
SMILESCc1ncc2ncn(C(C)Cc3nc(N)c4ncn(C(C)C)c4n3)c2n1
InChIInChI=1S/C17H21N9/c1-9(2)25-8-21-14-15(18)23-13(24-17(14)25)5-10(3)26-7-20-12-6-19-11(4)22-16(12)26/h6-10H,5H2,1-4H3,(H2,18,23,24)
InChIKeyDKEYOLGCNQSCOX-UHFFFAOYSA-N
MW351.42 g/mol
LogP2.24
Rot. Bonds4

About 2-[2-(2-methylpurin-9-yl)propyl]-9-propan-2-ylpurin-6-amine

2-[2-(2-methylpurin-9-yl)propyl]-9-propan-2-ylpurin-6-amine (PubChem CID 163520258) has the molecular formula C17H21N9 and a molecular weight of 351.42 g/mol. Its IUPAC name is 2-[2-(2-methylpurin-9-yl)propyl]-9-propan-2-ylpurin-6-amine.

Molecular Properties

Compound Name2-[2-(2-methylpurin-9-yl)propyl]-9-propan-2-ylpurin-6-amine
PubChem CID163520258
Molecular FormulaC17H21N9
Molecular Weight351.42 g/mol
Exact Mass351.19
IUPAC Name2-[2-(2-methylpurin-9-yl)propyl]-9-propan-2-ylpurin-6-amine
SMILESCc1ncc2ncn(C(C)Cc3nc(N)c4ncn(C(C)C)c4n3)c2n1
InChIInChI=1S/C17H21N9/c1-9(2)25-8-21-14-15(18)23-13(24-17(14)25)5-10(3)26-7-20-12-6-19-11(4)22-16(12)26/h6-10H,5H2,1-4H3,(H2,18,23,24)
InChIKeyDKEYOLGCNQSCOX-UHFFFAOYSA-N
XLogP2.24
TPSA113.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-methyl-9-propan-2-ylpurine
CID 24903832
3-[(6-amino-9-propan-2-ylpurin-2-yl)amino]propan-1-ol
CID 10634429
9-(1-aminoethyl)purine-2,6-diamine
CID 166965678
9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine
CID 146232455
9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117088690
9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine
CID 69098224
9-propan-2-yl-2-thiophen-2-ylpurin-6-amine
CID 117090774
9-pentan-3-ylpurin-2-amine
CID 139448079
(2S)-4-(6-amino-9-methylpurin-2-yl)butan-2-ol
CID 71745506
9-butan-2-yl-N,N-dimethylpurin-2-amine
CID 142386497
2-chloro-9-pentan-3-ylpurin-6-amine
CID 170238061
dimethyl 2-[4-(6-amino-2-methylpurin-9-yl)-2-methoxypentoxy]butanedioate
CID 142302789

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpurin-9-yl)propyl]-9-propan-2-ylpurin-6-amine?
The IUPAC name of 2-[2-(2-methylpurin-9-yl)propyl]-9-propan-2-ylpurin-6-amine (CID 163520258) is 2-[2-(2-methylpurin-9-yl)propyl]-9-propan-2-ylpurin-6-amine.
What is the SMILES notation for 2-[2-(2-methylpurin-9-yl)propyl]-9-propan-2-ylpurin-6-amine?
The canonical SMILES for 2-[2-(2-methylpurin-9-yl)propyl]-9-propan-2-ylpurin-6-amine is Cc1ncc2ncn(C(C)Cc3nc(N)c4ncn(C(C)C)c4n3)c2n1.
What is the InChIKey of 2-[2-(2-methylpurin-9-yl)propyl]-9-propan-2-ylpurin-6-amine?
The InChIKey is DKEYOLGCNQSCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N9/c1-9(2)25-8-21-14-15(18)23-13(24-17(14)25)5-10(3)26-7-20-12-6-19-11(4)22-16(12)26/h6-10H,5H2,1-4H3,(H2,18,23,24).
What are the key properties of 2-[2-(2-methylpurin-9-yl)propyl]-9-propan-2-ylpurin-6-amine?
2-[2-(2-methylpurin-9-yl)propyl]-9-propan-2-ylpurin-6-amine has a molecular weight of 351.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpurin-9-yl)propyl]-9-propan-2-ylpurin-6-amine is sourced from PubChem (CID 163520258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).