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

C13H20N6 — CID 72899234

IUPAC5-ethyl-4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1N(C)CCc1cnn(C)c1
InChIInChI=1S/C13H20N6/c1-4-11-8-15-13(14)17-12(11)18(2)6-5-10-7-16-19(3)9-10/h7-9H,4-6H2,1-3H3,(H2,14,15,17)
InChIKeyZKXZLBACPZIOOD-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.03
Rot. Bonds5

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

5-ethyl-4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 72899234) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is 5-ethyl-4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID72899234
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC Name5-ethyl-4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1N(C)CCc1cnn(C)c1
InChIInChI=1S/C13H20N6/c1-4-11-8-15-13(14)17-12(11)18(2)6-5-10-7-16-19(3)9-10/h7-9H,4-6H2,1-3H3,(H2,14,15,17)
InChIKeyZKXZLBACPZIOOD-UHFFFAOYSA-N
XLogP1.03
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-ethyl-4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine (CID 72899234) is 5-ethyl-4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethyl-4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-ethyl-4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine is CCc1cnc(N)nc1N(C)CCc1cnn(C)c1.
What is the InChIKey of 5-ethyl-4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is ZKXZLBACPZIOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-4-11-8-15-13(14)17-12(11)18(2)6-5-10-7-16-19(3)9-10/h7-9H,4-6H2,1-3H3,(H2,14,15,17).
What are the key properties of 5-ethyl-4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine?
5-ethyl-4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 260.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72899234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).