2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C18H20N6 — CID 112893245

IUPAC2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1ccc(Nc2nccc(NCc3ccccn3)n2)cc1
InChIInChI=1S/C18H20N6/c1-24(2)16-8-6-14(7-9-16)22-18-20-12-10-17(23-18)21-13-15-5-3-4-11-19-15/h3-12H,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyZUXLNIPZZODQPD-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.29
Rot. Bonds6

About 2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112893245) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112893245
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1ccc(Nc2nccc(NCc3ccccn3)n2)cc1
InChIInChI=1S/C18H20N6/c1-24(2)16-8-6-14(7-9-16)22-18-20-12-10-17(23-18)21-13-15-5-3-4-11-19-15/h3-12H,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyZUXLNIPZZODQPD-UHFFFAOYSA-N
XLogP3.29
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine 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

2-N,2-N-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 64829086
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine
CID 112897265
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893269
2-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904932
6-methyl-2-N-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919143
3-N-(4-methylphenyl)-5-N-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112951894
2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890680
4-N-[(4-methoxyphenyl)methyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892381
6-methyl-2-N-(4-propan-2-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919161
2-N-(4-bromophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919180
2-N,4-N-diphenyl-6-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 67212949
2-N-[(2-methoxyphenyl)methyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892258

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 112893245) is 2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is CN(C)c1ccc(Nc2nccc(NCc3ccccn3)n2)cc1.
What is the InChIKey of 2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is ZUXLNIPZZODQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-24(2)16-8-6-14(7-9-16)22-18-20-12-10-17(23-18)21-13-15-5-3-4-11-19-15/h3-12H,13H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 320.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112893245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).