N-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine

C13H21N7 — CID 133301517

IUPACN-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine
SMILESCC(CNc1ncnc2nc[nH]c12)N1CCN(C)CC1
InChIInChI=1S/C13H21N7/c1-10(20-5-3-19(2)4-6-20)7-14-12-11-13(16-8-15-11)18-9-17-12/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyXILQQGIUYGHTMD-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.40
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine

N-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine (PubChem CID 133301517) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine
PubChem CID133301517
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC NameN-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine
SMILESCC(CNc1ncnc2nc[nH]c12)N1CCN(C)CC1
InChIInChI=1S/C13H21N7/c1-10(20-5-3-19(2)4-6-20)7-14-12-11-13(16-8-15-11)18-9-17-12/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyXILQQGIUYGHTMD-UHFFFAOYSA-N
XLogP0.40
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
CID 5042339
N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846
2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine
CID 66109410
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine
CID 108777633
(7H-purin-6-ylamino)methanol
CID 86209273
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine
CID 94145816
2-[(7H-purin-6-ylamino)methyl]butanoic acid
CID 65226734
N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261
N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 61397737
N-butyl-7H-purin-6-amine;ethane
CID 154667457
N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine
CID 103753762

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine (CID 133301517) is N-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine is CC(CNc1ncnc2nc[nH]c12)N1CCN(C)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine?
The InChIKey is XILQQGIUYGHTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-10(20-5-3-19(2)4-6-20)7-14-12-11-13(16-8-15-11)18-9-17-12/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine?
N-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine has a molecular weight of 275.36 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine is sourced from PubChem (CID 133301517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).