2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-4,6-diamine

C12H19N7 — CID 106304545

IUPAC2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCc2nncn2CC)n1
InChIInChI=1S/C12H19N7/c1-4-9-16-11(13)8(3)12(17-9)14-6-10-18-15-7-19(10)5-2/h7H,4-6H2,1-3H3,(H3,13,14,16,17)
InChIKeyNJHYHKBMWAOAQN-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.15
Rot. Bonds5

About 2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-4,6-diamine

2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-4,6-diamine (PubChem CID 106304545) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-4,6-diamine
PubChem CID106304545
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCc2nncn2CC)n1
InChIInChI=1S/C12H19N7/c1-4-9-16-11(13)8(3)12(17-9)14-6-10-18-15-7-19(10)5-2/h7H,4-6H2,1-3H3,(H3,13,14,16,17)
InChIKeyNJHYHKBMWAOAQN-UHFFFAOYSA-N
XLogP1.15
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 106304573
2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine
CID 106301855
4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980993
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 106041480
2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981531
2-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80986232
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylbenzene-1,3-diamine
CID 106302029
2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-nitropyridine-2,6-diamine
CID 106304383
6-N-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpyrimidine-4,6-diamine
CID 106304567
6-bromo-2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 114170989
2-ethyl-5-methyl-4-N-(1,2-oxazol-5-ylmethyl)pyrimidine-4,6-diamine
CID 106424568
3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine
CID 106301851

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-4,6-diamine (CID 106304545) is 2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(NCc2nncn2CC)n1.
What is the InChIKey of 2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-4,6-diamine?
The InChIKey is NJHYHKBMWAOAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-4-9-16-11(13)8(3)12(17-9)14-6-10-18-15-7-19(10)5-2/h7H,4-6H2,1-3H3,(H3,13,14,16,17).
What are the key properties of 2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-4,6-diamine?
2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-4,6-diamine has a molecular weight of 261.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 106304545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).