N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine

C17H23N9 — CID 155976256

IUPACN,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ncnc4c3ncn4C)CC2)nc(N(C)C)n1
InChIInChI=1S/C17H23N9/c1-12-9-13(22-17(21-12)23(2)3)25-5-7-26(8-6-25)16-14-15(18-10-19-16)24(4)11-20-14/h9-11H,5-8H2,1-4H3
InChIKeyVTZVTRYAPILOFG-UHFFFAOYSA-N
MW353.43 g/mol
LogP0.85
Rot. Bonds3

About N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine

N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 155976256) has the molecular formula C17H23N9 and a molecular weight of 353.43 g/mol. Its IUPAC name is N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID155976256
Molecular FormulaC17H23N9
Molecular Weight353.43 g/mol
Exact Mass353.21
IUPAC NameN,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ncnc4c3ncn4C)CC2)nc(N(C)C)n1
InChIInChI=1S/C17H23N9/c1-12-9-13(22-17(21-12)23(2)3)25-5-7-26(8-6-25)16-14-15(18-10-19-16)24(4)11-20-14/h9-11H,5-8H2,1-4H3
InChIKeyVTZVTRYAPILOFG-UHFFFAOYSA-N
XLogP0.85
TPSA79.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine
CID 171999134
N,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 154883425
N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine
CID 155942605
4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
CID 146078208
4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
CID 154883377
N,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155981603
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine
CID 154853625
N,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine
CID 15016760
6-(azetidin-1-yl)-9-methylpurine
CID 147079717
6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine
CID 163354244
1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 154853682
4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine
CID 165433962

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine (CID 155976256) is N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCN(c3ncnc4c3ncn4C)CC2)nc(N(C)C)n1.
What is the InChIKey of N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is VTZVTRYAPILOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N9/c1-12-9-13(22-17(21-12)23(2)3)25-5-7-26(8-6-25)16-14-15(18-10-19-16)24(4)11-20-14/h9-11H,5-8H2,1-4H3.
What are the key properties of N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine?
N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 353.43 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 155976256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).