7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine

C17H21N7 — CID 157019637

IUPAC7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine
SMILESCc1cccnc1CN1CCN(c2ncc3c(ncn3C)n2)CC1
InChIInChI=1S/C17H21N7/c1-13-4-3-5-18-14(13)11-23-6-8-24(9-7-23)17-19-10-15-16(21-17)20-12-22(15)2/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyKCVGELFKPFIKGW-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.39
Rot. Bonds3

About 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine

7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine (PubChem CID 157019637) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine.

Molecular Properties

Compound Name7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine
PubChem CID157019637
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine
SMILESCc1cccnc1CN1CCN(c2ncc3c(ncn3C)n2)CC1
InChIInChI=1S/C17H21N7/c1-13-4-3-5-18-14(13)11-23-6-8-24(9-7-23)17-19-10-15-16(21-17)20-12-22(15)2/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyKCVGELFKPFIKGW-UHFFFAOYSA-N
XLogP1.39
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine?
The IUPAC name of 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine (CID 157019637) is 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine.
What is the SMILES notation for 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine?
The canonical SMILES for 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine is Cc1cccnc1CN1CCN(c2ncc3c(ncn3C)n2)CC1.
What is the InChIKey of 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine?
The InChIKey is KCVGELFKPFIKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-13-4-3-5-18-14(13)11-23-6-8-24(9-7-23)17-19-10-15-16(21-17)20-12-22(15)2/h3-5,10,12H,6-9,11H2,1-2H3.
What are the key properties of 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine?
7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine has a molecular weight of 323.40 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine is sourced from PubChem (CID 157019637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).