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

C14H23N7 — CID 80984753

IUPAC6-N,2-diethyl-5-methyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(NCCc2nncn2C)c1C
InChIInChI=1S/C14H23N7/c1-5-11-18-13(15-6-2)10(3)14(19-11)16-8-7-12-20-17-9-21(12)4/h9H,5-8H2,1-4H3,(H2,15,16,18,19)
InChIKeyMMQFOOKHVDFIFZ-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.56
Rot. Bonds7

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

6-N,2-diethyl-5-methyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80984753) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 6-N,2-diethyl-5-methyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-5-methyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80984753
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name6-N,2-diethyl-5-methyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(NCCc2nncn2C)c1C
InChIInChI=1S/C14H23N7/c1-5-11-18-13(15-6-2)10(3)14(19-11)16-8-7-12-20-17-9-21(12)4/h9H,5-8H2,1-4H3,(H2,15,16,18,19)
InChIKeyMMQFOOKHVDFIFZ-UHFFFAOYSA-N
XLogP1.56
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80821782
6-N,2-diethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80935263
4-N-[2-(diethylamino)ethyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80980989
6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 106041828
2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 80830333
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 64587074
4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 63330580
6-N,2-diethyl-5-methyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80987280
6-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 63330922
1-ethyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiourea
CID 116508555
2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 106304573

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-5-methyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-5-methyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine (CID 80984753) is 6-N,2-diethyl-5-methyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-5-methyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-5-methyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine is CCNc1nc(CC)nc(NCCc2nncn2C)c1C.
What is the InChIKey of 6-N,2-diethyl-5-methyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is MMQFOOKHVDFIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-5-11-18-13(15-6-2)10(3)14(19-11)16-8-7-12-20-17-9-21(12)4/h9H,5-8H2,1-4H3,(H2,15,16,18,19).
What are the key properties of 6-N,2-diethyl-5-methyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine?
6-N,2-diethyl-5-methyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 289.39 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-5-methyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80984753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).