2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine

C11H17N7 — CID 80822122

IUPAC2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCc2nncn2C)n1
InChIInChI=1S/C11H17N7/c1-4-12-11-14-5-8(2)10(16-11)13-6-9-17-15-7-18(9)3/h5,7H,4,6H2,1-3H3,(H2,12,13,14,16)
InChIKeyYLFWNNCOZXLOQT-UHFFFAOYSA-N
MW247.31 g/mol
LogP0.96
Rot. Bonds5

About 2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine

2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80822122) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80822122
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCc2nncn2C)n1
InChIInChI=1S/C11H17N7/c1-4-12-11-14-5-8(2)10(16-11)13-6-9-17-15-7-18(9)3/h5,7H,4,6H2,1-3H3,(H2,12,13,14,16)
InChIKeyYLFWNNCOZXLOQT-UHFFFAOYSA-N
XLogP0.96
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80821782
2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine
CID 80798310
N-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882882
2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807145
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091
6-N,2,5-trimethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80821784
2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80775595
4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine
CID 62869757
6-N,2-diethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80935263
5-methyl-2-N,4-N-bis(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrimidine-2,4-diamine
CID 133382843
2-N-ethyl-5-fluoro-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80829928
2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 80831891

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine (CID 80822122) is 2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine is CCNc1ncc(C)c(NCc2nncn2C)n1.
What is the InChIKey of 2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is YLFWNNCOZXLOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-4-12-11-14-5-8(2)10(16-11)13-6-9-17-15-7-18(9)3/h5,7H,4,6H2,1-3H3,(H2,12,13,14,16).
What are the key properties of 2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 247.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80822122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).