N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine

C19H22N6 — CID 75454647

IUPACN-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2cc(C)n(C(C)C3CC3)n2)cc(-c2ccccn2)n1
InChIInChI=1S/C19H22N6/c1-12-10-19(24-25(12)13(2)15-7-8-15)23-18-11-17(21-14(3)22-18)16-6-4-5-9-20-16/h4-6,9-11,13,15H,7-8H2,1-3H3,(H,21,22,23,24)
InChIKeySMIHEUVKZBAJGI-UHFFFAOYSA-N
MW334.43 g/mol
LogP4.07
Rot. Bonds5

About N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine

N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine (PubChem CID 75454647) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
PubChem CID75454647
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC NameN-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2cc(C)n(C(C)C3CC3)n2)cc(-c2ccccn2)n1
InChIInChI=1S/C19H22N6/c1-12-10-19(24-25(12)13(2)15-7-8-15)23-18-11-17(21-14(3)22-18)16-6-4-5-9-20-16/h4-6,9-11,13,15H,7-8H2,1-3H3,(H,21,22,23,24)
InChIKeySMIHEUVKZBAJGI-UHFFFAOYSA-N
XLogP4.07
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine (CID 75454647) is N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine is Cc1nc(Nc2cc(C)n(C(C)C3CC3)n2)cc(-c2ccccn2)n1.
What is the InChIKey of N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is SMIHEUVKZBAJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-12-10-19(24-25(12)13(2)15-7-8-15)23-18-11-17(21-14(3)22-18)16-6-4-5-9-20-16/h4-6,9-11,13,15H,7-8H2,1-3H3,(H,21,22,23,24).
What are the key properties of N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine?
N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 334.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 75454647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).