2-N,2-N,5,6-tetramethyl-4-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine

C17H21N7 — CID 50981416

IUPAC2-N,2-N,5,6-tetramethyl-4-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(NCc2nc(-c3ccccc3)n[nH]2)c1C
InChIInChI=1S/C17H21N7/c1-11-12(2)19-17(24(3)4)21-15(11)18-10-14-20-16(23-22-14)13-8-6-5-7-9-13/h5-9H,10H2,1-4H3,(H,18,19,21)(H,20,22,23)
InChIKeyUNUXHWBQEKMXJY-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.56
Rot. Bonds5

About 2-N,2-N,5,6-tetramethyl-4-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine

2-N,2-N,5,6-tetramethyl-4-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 50981416) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-N,2-N,5,6-tetramethyl-4-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,5,6-tetramethyl-4-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID50981416
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name2-N,2-N,5,6-tetramethyl-4-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(NCc2nc(-c3ccccc3)n[nH]2)c1C
InChIInChI=1S/C17H21N7/c1-11-12(2)19-17(24(3)4)21-15(11)18-10-14-20-16(23-22-14)13-8-6-5-7-9-13/h5-9H,10H2,1-4H3,(H,18,19,21)(H,20,22,23)
InChIKeyUNUXHWBQEKMXJY-UHFFFAOYSA-N
XLogP2.56
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N,5,6-tetramethyl-4-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,5,6-tetramethyl-4-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,5,6-tetramethyl-4-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 50981416) is 2-N,2-N,5,6-tetramethyl-4-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,5,6-tetramethyl-4-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,5,6-tetramethyl-4-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine is Cc1nc(N(C)C)nc(NCc2nc(-c3ccccc3)n[nH]2)c1C.
What is the InChIKey of 2-N,2-N,5,6-tetramethyl-4-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is UNUXHWBQEKMXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-11-12(2)19-17(24(3)4)21-15(11)18-10-14-20-16(23-22-14)13-8-6-5-7-9-13/h5-9H,10H2,1-4H3,(H,18,19,21)(H,20,22,23).
What are the key properties of 2-N,2-N,5,6-tetramethyl-4-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine?
2-N,2-N,5,6-tetramethyl-4-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 323.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,5,6-tetramethyl-4-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 50981416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).