N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine

C17H21N7 — CID 108777633

IUPACN-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine
SMILESCN1CCN(Cc2ccc(Nc3ncnc4nc[nH]c34)cc2)CC1
InChIInChI=1S/C17H21N7/c1-23-6-8-24(9-7-23)10-13-2-4-14(5-3-13)22-17-15-16(19-11-18-15)20-12-21-17/h2-5,11-12H,6-10H2,1H3,(H2,18,19,20,21,22)
InChIKeyDIESKIHVGLOGKL-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.84
Rot. Bonds4

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

N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine (PubChem CID 108777633) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine
PubChem CID108777633
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC NameN-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine
SMILESCN1CCN(Cc2ccc(Nc3ncnc4nc[nH]c34)cc2)CC1
InChIInChI=1S/C17H21N7/c1-23-6-8-24(9-7-23)10-13-2-4-14(5-3-13)22-17-15-16(19-11-18-15)20-12-21-17/h2-5,11-12H,6-10H2,1H3,(H2,18,19,20,21,22)
InChIKeyDIESKIHVGLOGKL-UHFFFAOYSA-N
XLogP1.84
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine
CID 108773228
N-(3-chloro-4-methylphenyl)-7H-purin-6-amine
CID 2155036
4-(7H-purin-6-ylamino)benzenesulfonic acid
CID 22147127
N-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine
CID 133301517
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazolo[3,4-b]pyridin-5-amine
CID 70810938
N-(3,5-difluorophenyl)-7H-purin-6-amine
CID 69242091
1-N-(4-methylphenyl)-2-N-(7H-purin-6-yl)benzene-1,2-diamine
CID 108778162
N-[4-(cyclohexylmethoxy)phenyl]-7H-purin-6-amine
CID 166340246
2-ethoxy-4-[[4-(7H-purin-6-ylamino)piperidin-1-yl]methyl]phenol
CID 67147383
N-(1-methylpyrazol-3-yl)-7H-purin-6-amine
CID 79778598
N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine
CID 99810697
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7H-purin-6-amine
CID 67147353

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine?
The IUPAC name of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine (CID 108777633) is N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine.
What is the SMILES notation for N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine?
The canonical SMILES for N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine is CN1CCN(Cc2ccc(Nc3ncnc4nc[nH]c34)cc2)CC1.
What is the InChIKey of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine?
The InChIKey is DIESKIHVGLOGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-23-6-8-24(9-7-23)10-13-2-4-14(5-3-13)22-17-15-16(19-11-18-15)20-12-21-17/h2-5,11-12H,6-10H2,1H3,(H2,18,19,20,21,22).
What are the key properties of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine?
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine has a molecular weight of 323.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine is sourced from PubChem (CID 108777633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).