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

C13H20N6 — CID 106106856

IUPAC2-N-ethyl-6-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NCCc2ccn(C)n2)n1
InChIInChI=1S/C13H20N6/c1-4-14-13-16-10(2)9-12(17-13)15-7-5-11-6-8-19(3)18-11/h6,8-9H,4-5,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyPQCFNJPVAYGEPV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.60
Rot. Bonds6

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

2-N-ethyl-6-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 106106856) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID106106856
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name2-N-ethyl-6-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NCCc2ccn(C)n2)n1
InChIInChI=1S/C13H20N6/c1-4-14-13-16-10(2)9-12(17-13)15-7-5-11-6-8-19(3)18-11/h6,8-9H,4-5,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyPQCFNJPVAYGEPV-UHFFFAOYSA-N
XLogP1.60
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106106755
6-N-ethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 106106860
4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
CID 106105448
2-(ethylamino)-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106106391
6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
CID 106105393
4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 106106836
2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 106424174
2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 80788066
2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine
CID 106106749
2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106106929
2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828673

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine (CID 106106856) is 2-N-ethyl-6-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine is CCNc1nc(C)cc(NCCc2ccn(C)n2)n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is PQCFNJPVAYGEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-4-14-13-16-10(2)9-12(17-13)15-7-5-11-6-8-19(3)18-11/h6,8-9H,4-5,7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-6-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 106106856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).