1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

C13H19N5 — CID 131908366

IUPAC1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCCc1nccc(CN(C)Cc2cn[nH]c2C)n1
InChIInChI=1S/C13H19N5/c1-4-13-14-6-5-12(16-13)9-18(3)8-11-7-15-17-10(11)2/h5-7H,4,8-9H2,1-3H3,(H,15,17)
InChIKeyVUBIFCCJQCQRGO-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.70
Rot. Bonds5

About 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 131908366) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID131908366
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCCc1nccc(CN(C)Cc2cn[nH]c2C)n1
InChIInChI=1S/C13H19N5/c1-4-13-14-6-5-12(16-13)9-18(3)8-11-7-15-17-10(11)2/h5-7H,4,8-9H2,1-3H3,(H,15,17)
InChIKeyVUBIFCCJQCQRGO-UHFFFAOYSA-N
XLogP1.70
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (CID 131908366) is 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is CCc1nccc(CN(C)Cc2cn[nH]c2C)n1.
What is the InChIKey of 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is VUBIFCCJQCQRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-13-14-6-5-12(16-13)9-18(3)8-11-7-15-17-10(11)2/h5-7H,4,8-9H2,1-3H3,(H,15,17).
What are the key properties of 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 131908366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).