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

C12H19N7 — CID 72867697

IUPAC5-ethyl-6-methyl-4-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCc1c(C)nc(N)nc1NC(C)c1n[nH]c(C)n1
InChIInChI=1S/C12H19N7/c1-5-9-6(2)15-12(13)17-11(9)14-7(3)10-16-8(4)18-19-10/h7H,5H2,1-4H3,(H,16,18,19)(H3,13,14,15,17)
InChIKeyNRBHYGWGYCMJEN-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.53
Rot. Bonds4

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

5-ethyl-6-methyl-4-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 72867697) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-ethyl-6-methyl-4-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethyl-6-methyl-4-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID72867697
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name5-ethyl-6-methyl-4-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCc1c(C)nc(N)nc1NC(C)c1n[nH]c(C)n1
InChIInChI=1S/C12H19N7/c1-5-9-6(2)15-12(13)17-11(9)14-7(3)10-16-8(4)18-19-10/h7H,5H2,1-4H3,(H,16,18,19)(H3,13,14,15,17)
InChIKeyNRBHYGWGYCMJEN-UHFFFAOYSA-N
XLogP1.53
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-4-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-ethyl-6-methyl-4-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine (CID 72867697) is 5-ethyl-6-methyl-4-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethyl-6-methyl-4-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-ethyl-6-methyl-4-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine is CCc1c(C)nc(N)nc1NC(C)c1n[nH]c(C)n1.
What is the InChIKey of 5-ethyl-6-methyl-4-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is NRBHYGWGYCMJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-5-9-6(2)15-12(13)17-11(9)14-7(3)10-16-8(4)18-19-10/h7H,5H2,1-4H3,(H,16,18,19)(H3,13,14,15,17).
What are the key properties of 5-ethyl-6-methyl-4-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine?
5-ethyl-6-methyl-4-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 261.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-4-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72867697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).