[4-[(4-methylphenyl)methylamino]-6-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylideneazanium

C18H25N6+ — CID 142173804

IUPAC[4-[(4-methylphenyl)methylamino]-6-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylideneazanium
SMILESCc1ccc(CNc2ncnc(N3CCN(C)CC3)c2C=[NH2+])cc1
InChIInChI=1S/C18H24N6/c1-14-3-5-15(6-4-14)12-20-17-16(11-19)18(22-13-21-17)24-9-7-23(2)8-10-24/h3-6,11,13,19H,7-10,12H2,1-2H3,(H,20,21,22)/p+1
InChIKeyPCXBXQDLWNKQHZ-UHFFFAOYSA-O
MW325.44 g/mol
LogP0.33
Rot. Bonds5

About [4-[(4-methylphenyl)methylamino]-6-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylideneazanium

[4-[(4-methylphenyl)methylamino]-6-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylideneazanium (PubChem CID 142173804) has the molecular formula C18H25N6+ and a molecular weight of 325.44 g/mol. Its IUPAC name is [4-[(4-methylphenyl)methylamino]-6-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylideneazanium.

Molecular Properties

Compound Name[4-[(4-methylphenyl)methylamino]-6-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylideneazanium
PubChem CID142173804
Molecular FormulaC18H25N6+
Molecular Weight325.44 g/mol
Exact Mass325.21
IUPAC Name[4-[(4-methylphenyl)methylamino]-6-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylideneazanium
SMILESCc1ccc(CNc2ncnc(N3CCN(C)CC3)c2C=[NH2+])cc1
InChIInChI=1S/C18H24N6/c1-14-3-5-15(6-4-14)12-20-17-16(11-19)18(22-13-21-17)24-9-7-23(2)8-10-24/h3-6,11,13,19H,7-10,12H2,1-2H3,(H,20,21,22)/p+1
InChIKeyPCXBXQDLWNKQHZ-UHFFFAOYSA-O
XLogP0.33
TPSA69.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [4-[(4-methylphenyl)methylamino]-6-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylideneazanium 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-(azepan-1-yl)-N-[(4-methylphenyl)methyl]-5-nitropyrimidin-4-amine
CID 23489779
5-methanimidoyl-6-(4-methylpiperazin-1-yl)-N-[(3-nitrophenyl)methyl]pyrimidin-4-amine
CID 142173812
4-N-methyl-6-N-[(4-methylphenyl)methyl]-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19150322
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]-5-nitropyrimidin-4-amine
CID 22534661
4-methyl-N-[(4-methylphenyl)methyl]piperazin-1-amine
CID 80503110
6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5-diamine
CID 19150310
4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913782
5-methyl-N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344683
4-[[5-methanimidoyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]butanenitrile
CID 142173752
methyl 1-[6-[(4-methylphenyl)methylamino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
CID 22534674
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 3607385
4-N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22546983

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylphenyl)methylamino]-6-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylideneazanium?
The IUPAC name of [4-[(4-methylphenyl)methylamino]-6-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylideneazanium (CID 142173804) is [4-[(4-methylphenyl)methylamino]-6-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylideneazanium.
What is the SMILES notation for [4-[(4-methylphenyl)methylamino]-6-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylideneazanium?
The canonical SMILES for [4-[(4-methylphenyl)methylamino]-6-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylideneazanium is Cc1ccc(CNc2ncnc(N3CCN(C)CC3)c2C=[NH2+])cc1.
What is the InChIKey of [4-[(4-methylphenyl)methylamino]-6-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylideneazanium?
The InChIKey is PCXBXQDLWNKQHZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H24N6/c1-14-3-5-15(6-4-14)12-20-17-16(11-19)18(22-13-21-17)24-9-7-23(2)8-10-24/h3-6,11,13,19H,7-10,12H2,1-2H3,(H,20,21,22)/p+1.
What are the key properties of [4-[(4-methylphenyl)methylamino]-6-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylideneazanium?
[4-[(4-methylphenyl)methylamino]-6-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylideneazanium has a molecular weight of 325.44 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylphenyl)methylamino]-6-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylideneazanium is sourced from PubChem (CID 142173804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).