4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine

C20H22N10 — CID 20607287

IUPAC4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1ccc(Nc2nc(NCc3cccnc3)nc(Nc3cc(C)[nH]n3)n2)cc1
InChIInChI=1S/C20H22N10/c1-13-10-17(30-29-13)25-20-27-18(23-12-14-4-3-9-22-11-14)26-19(28-20)24-16-7-5-15(21-2)6-8-16/h3-11,21H,12H2,1-2H3,(H4,23,24,25,26,27,28,29,30)
InChIKeyHIHYPYGCYAWMDJ-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.44
Rot. Bonds8

About 4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine

4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 20607287) has the molecular formula C20H22N10 and a molecular weight of 402.47 g/mol. Its IUPAC name is 4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID20607287
Molecular FormulaC20H22N10
Molecular Weight402.47 g/mol
Exact Mass402.20
IUPAC Name4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1ccc(Nc2nc(NCc3cccnc3)nc(Nc3cc(C)[nH]n3)n2)cc1
InChIInChI=1S/C20H22N10/c1-13-10-17(30-29-13)25-20-27-18(23-12-14-4-3-9-22-11-14)26-19(28-20)24-16-7-5-15(21-2)6-8-16/h3-11,21H,12H2,1-2H3,(H4,23,24,25,26,27,28,29,30)
InChIKeyHIHYPYGCYAWMDJ-UHFFFAOYSA-N
XLogP3.44
TPSA128.36 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 10111548
6-methyl-2-N-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919456
2-N-(4-chlorophenyl)-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919484
2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919519
2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 56695154
N-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112919668
4-[[4-methyl-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112919557
6-methyl-2-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112919664
2-N-(4-ethylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893462
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893554
6-methoxy-4-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771837
2-[5-(benzylamino)-3-pyridinyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 162531382

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine (CID 20607287) is 4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine is CNc1ccc(Nc2nc(NCc3cccnc3)nc(Nc3cc(C)[nH]n3)n2)cc1.
What is the InChIKey of 4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is HIHYPYGCYAWMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N10/c1-13-10-17(30-29-13)25-20-27-18(23-12-14-4-3-9-22-11-14)26-19(28-20)24-16-7-5-15(21-2)6-8-16/h3-11,21H,12H2,1-2H3,(H4,23,24,25,26,27,28,29,30).
What are the key properties of 4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 402.47 g/mol, XLogP of 3.44, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 20607287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).