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

C13H21N7 — CID 106304573

IUPAC2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCc2nncn2CC)n1
InChIInChI=1S/C13H21N7/c1-5-10-17-12(14-4)9(3)13(18-10)15-7-11-19-16-8-20(11)6-2/h8H,5-7H2,1-4H3,(H2,14,15,17,18)
InChIKeyDTCPUSVONOEOKC-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.61
Rot. Bonds6

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

2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 106304573) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID106304573
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCc2nncn2CC)n1
InChIInChI=1S/C13H21N7/c1-5-10-17-12(14-4)9(3)13(18-10)15-7-11-19-16-8-20(11)6-2/h8H,5-7H2,1-4H3,(H2,14,15,17,18)
InChIKeyDTCPUSVONOEOKC-UHFFFAOYSA-N
XLogP1.61
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-4,6-diamine
CID 106304545
6-N,2,5-trimethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80821784
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 106304492
2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine
CID 106301855
5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 114170995
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982081
6-N-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpyrimidine-4,6-diamine
CID 106304567
2-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981203
2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine
CID 80992974
6-N,2-diethyl-5-methyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 80984753
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
CID 79256368

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine (CID 106304573) is 2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(NCc2nncn2CC)n1.
What is the InChIKey of 2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is DTCPUSVONOEOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-5-10-17-12(14-4)9(3)13(18-10)15-7-11-19-16-8-20(11)6-2/h8H,5-7H2,1-4H3,(H2,14,15,17,18).
What are the key properties of 2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 275.36 g/mol, XLogP of 1.61, 6 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]-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 106304573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).