4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine

C12H19N7 — CID 80829551

IUPAC4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCCc2nncn2C)n1
InChIInChI=1S/C12H19N7/c1-3-6-14-12-15-7-4-10(17-12)13-8-5-11-18-16-9-19(11)2/h4,7,9H,3,5-6,8H2,1-2H3,(H2,13,14,15,17)
InChIKeyHRZWBAPJYHGGOT-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.08
Rot. Bonds7

About 4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine

4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80829551) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80829551
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCCc2nncn2C)n1
InChIInChI=1S/C12H19N7/c1-3-6-14-12-15-7-4-10(17-12)13-8-5-11-18-16-9-19(11)2/h4,7,9H,3,5-6,8H2,1-2H3,(H2,13,14,15,17)
InChIKeyHRZWBAPJYHGGOT-UHFFFAOYSA-N
XLogP1.08
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 80830333
6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63590782
4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80809698
4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797099
4-N-ethyl-2-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 50953787
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide
CID 63330785
5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63330454
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-nitropyridin-2-amine
CID 55203063
2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine
CID 112881814
4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 175183922
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-4-amine
CID 102824217
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 114516944

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine (CID 80829551) is 4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(NCCc2nncn2C)n1.
What is the InChIKey of 4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is HRZWBAPJYHGGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-3-6-14-12-15-7-4-10(17-12)13-8-5-11-18-16-9-19(11)2/h4,7,9H,3,5-6,8H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 261.33 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80829551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).