6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile

C13H20N6 — CID 107551946

IUPAC6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCCN2CCN(C)CC2)n1
InChIInChI=1S/C13H20N6/c1-11-9-12(10-14)17-13(16-11)15-3-4-19-7-5-18(2)6-8-19/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyWARXLCOTWZVCHT-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.32
Rot. Bonds4

About 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile

6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile (PubChem CID 107551946) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile
PubChem CID107551946
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCCN2CCN(C)CC2)n1
InChIInChI=1S/C13H20N6/c1-11-9-12(10-14)17-13(16-11)15-3-4-19-7-5-18(2)6-8-19/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyWARXLCOTWZVCHT-UHFFFAOYSA-N
XLogP0.32
TPSA68.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543599
6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile
CID 107545228
2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383441
2-(hexylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544597
6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile
CID 107545250
2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile
CID 110383439
6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile
CID 136539750
6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
CID 107543261
2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545273
2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107543760
2-(4-imidazol-1-ylbutylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544221
2-chloro-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
CID 106192920

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile (CID 107551946) is 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NCCN2CCN(C)CC2)n1.
What is the InChIKey of 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile?
The InChIKey is WARXLCOTWZVCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-11-9-12(10-14)17-13(16-11)15-3-4-19-7-5-18(2)6-8-19/h9H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile?
6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107551946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).