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

C11H16N6 — CID 106106755

IUPAC2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCCc2ccn(C)n2)n1
InChIInChI=1S/C11H16N6/c1-8-14-10(12)7-11(15-8)13-5-3-9-4-6-17(2)16-9/h4,6-7H,3,5H2,1-2H3,(H3,12,13,14,15)
InChIKeyZKCINWQGBSEGQI-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.76
Rot. Bonds4

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

2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 106106755) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID106106755
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCCc2ccn(C)n2)n1
InChIInChI=1S/C11H16N6/c1-8-14-10(12)7-11(15-8)13-5-3-9-4-6-17(2)16-9/h4,6-7H,3,5H2,1-2H3,(H3,12,13,14,15)
InChIKeyZKCINWQGBSEGQI-UHFFFAOYSA-N
XLogP0.76
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 106106836
2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2,6-diamine
CID 104626530
6-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,6-diamine
CID 106106717
2-N-ethyl-6-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 106106856
6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106106929
4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106106748
6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
CID 106106888
6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
CID 106105393
6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106106808
6-N-ethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 106106860
6-hydrazinyl-2-(methoxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
CID 106106909
6-ethoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106104031

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine (CID 106106755) is 2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine is Cc1nc(N)cc(NCCc2ccn(C)n2)n1.
What is the InChIKey of 2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is ZKCINWQGBSEGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-8-14-10(12)7-11(15-8)13-5-3-9-4-6-17(2)16-9/h4,6-7H,3,5H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine?
2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 232.29 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106106755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).