4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine

C13H20N6 — CID 56778066

IUPAC4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cnn(CCNc2nc(C)cc(N(C)C)n2)c1
InChIInChI=1S/C13H20N6/c1-10-8-15-19(9-10)6-5-14-13-16-11(2)7-12(17-13)18(3)4/h7-9H,5-6H2,1-4H3,(H,14,16,17)
InChIKeyYNWQMURFCSLPCP-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.47
Rot. Bonds5

About 4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine

4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 56778066) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID56778066
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cnn(CCNc2nc(C)cc(N(C)C)n2)c1
InChIInChI=1S/C13H20N6/c1-10-8-15-19(9-10)6-5-14-13-16-11(2)7-12(17-13)18(3)4/h7-9H,5-6H2,1-4H3,(H,14,16,17)
InChIKeyYNWQMURFCSLPCP-UHFFFAOYSA-N
XLogP1.47
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine (CID 56778066) is 4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine is Cc1cnn(CCNc2nc(C)cc(N(C)C)n2)c1.
What is the InChIKey of 4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is YNWQMURFCSLPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-10-8-15-19(9-10)6-5-14-13-16-11(2)7-12(17-13)18(3)4/h7-9H,5-6H2,1-4H3,(H,14,16,17).
What are the key properties of 4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine?
4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 56778066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).