2-ethyl-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine

C13H19N5 — CID 119052097

IUPAC2-ethyl-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCc1nc(C)cc(NCCc2ccnn2C)n1
InChIInChI=1S/C13H19N5/c1-4-12-16-10(2)9-13(17-12)14-7-5-11-6-8-15-18(11)3/h6,8-9H,4-5,7H2,1-3H3,(H,14,16,17)
InChIKeyBJFXZIBFMNSSNO-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.74
Rot. Bonds5

About 2-ethyl-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine

2-ethyl-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 119052097) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID119052097
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-ethyl-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCc1nc(C)cc(NCCc2ccnn2C)n1
InChIInChI=1S/C13H19N5/c1-4-12-16-10(2)9-13(17-12)14-7-5-11-6-8-15-18(11)3/h6,8-9H,4-5,7H2,1-3H3,(H,14,16,17)
InChIKeyBJFXZIBFMNSSNO-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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Related Compounds

Istisociclib
CID 146502834
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
CID 53320653
N-ethyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
CID 53324165
N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-isopentyl-pyrimidine-2,4-diamine
CID 70683297
2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 72945318
5-(Piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318088
4-N-methyl-2-N-[5-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191208
4-N-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191509
1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-amine
CID 43316767
2-Chloro-4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
CID 24820363

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine (CID 119052097) is 2-ethyl-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine is CCc1nc(C)cc(NCCc2ccnn2C)n1.
What is the InChIKey of 2-ethyl-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is BJFXZIBFMNSSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-12-16-10(2)9-13(17-12)14-7-5-11-6-8-15-18(11)3/h6,8-9H,4-5,7H2,1-3H3,(H,14,16,17).
What are the key properties of 2-ethyl-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine?
2-ethyl-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-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 2-ethyl-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 119052097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).