6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine

C15H18N6 — CID 114783307

IUPAC6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine
SMILESCC(C)N(Cc1ccccc1)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C15H18N6/c1-10(2)21(8-11-6-4-3-5-7-11)14-12-13(18-9-17-12)19-15(16)20-14/h3-7,9-10H,8H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyYPBHBPYTYVDEBG-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.35
Rot. Bonds4

About 6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine

6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine (PubChem CID 114783307) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine
PubChem CID114783307
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine
SMILESCC(C)N(Cc1ccccc1)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C15H18N6/c1-10(2)21(8-11-6-4-3-5-7-11)14-12-13(18-9-17-12)19-15(16)20-14/h3-7,9-10H,8H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyYPBHBPYTYVDEBG-UHFFFAOYSA-N
XLogP2.35
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol
CID 114784943
6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine
CID 44776717
6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 104623147
6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669342
2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine
CID 115473540
N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine
CID 104787062
6-N,6-N-bis(furan-2-ylmethyl)-7H-purine-2,6-diamine
CID 75505978
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
CID 104787141
6-N-ethyl-6-N-[(6-methyl-2-pyridinyl)methyl]-7H-purine-2,6-diamine
CID 114785682
2-benzyl-7H-purin-6-amine
CID 15986830
2-N-benzyl-2-N-propan-2-ylpyrimidine-2,5-diamine
CID 61145774
6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669357

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine (CID 114783307) is 6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine is CC(C)N(Cc1ccccc1)c1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine?
The InChIKey is YPBHBPYTYVDEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-10(2)21(8-11-6-4-3-5-7-11)14-12-13(18-9-17-12)19-15(16)20-14/h3-7,9-10H,8H2,1-2H3,(H3,16,17,18,19,20).
What are the key properties of 6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine?
6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine has a molecular weight of 282.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine is sourced from PubChem (CID 114783307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).