4-ethyl-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine

C13H19N5 — CID 126450890

IUPAC4-ethyl-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCCc1nc(NCCc2ccnn2C)ncc1C
InChIInChI=1S/C13H19N5/c1-4-12-10(2)9-15-13(17-12)14-7-5-11-6-8-16-18(11)3/h6,8-9H,4-5,7H2,1-3H3,(H,14,15,17)
InChIKeyDQFBYDCRMZBBSO-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.74
Rot. Bonds5

About 4-ethyl-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine

4-ethyl-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 126450890) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
PubChem CID126450890
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name4-ethyl-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCCc1nc(NCCc2ccnn2C)ncc1C
InChIInChI=1S/C13H19N5/c1-4-12-10(2)9-15-13(17-12)14-7-5-11-6-8-16-18(11)3/h6,8-9H,4-5,7H2,1-3H3,(H,14,15,17)
InChIKeyDQFBYDCRMZBBSO-UHFFFAOYSA-N
XLogP1.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-ethyl-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine (CID 126450890) is 4-ethyl-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethyl-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine is CCc1nc(NCCc2ccnn2C)ncc1C.
What is the InChIKey of 4-ethyl-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine?
The InChIKey is DQFBYDCRMZBBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-12-10(2)9-15-13(17-12)14-7-5-11-6-8-16-18(11)3/h6,8-9H,4-5,7H2,1-3H3,(H,14,15,17).
What are the key properties of 4-ethyl-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine?
4-ethyl-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 126450890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).