6-(3-ethyl-1-methylpyrazol-5-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpyrimidin-4-amine

C21H27N5O — CID 110225672

IUPAC6-(3-ethyl-1-methylpyrazol-5-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpyrimidin-4-amine
SMILESCCc1cc(-c2cc(NC(C)Cc3ccccc3OC)nc(C)n2)n(C)n1
InChIInChI=1S/C21H27N5O/c1-6-17-12-19(26(4)25-17)18-13-21(24-15(3)23-18)22-14(2)11-16-9-7-8-10-20(16)27-5/h7-10,12-14H,6,11H2,1-5H3,(H,22,23,24)
InChIKeyHRXDXLCJVNUWQX-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.80
Rot. Bonds7

About 6-(3-ethyl-1-methylpyrazol-5-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpyrimidin-4-amine

6-(3-ethyl-1-methylpyrazol-5-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpyrimidin-4-amine (PubChem CID 110225672) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-(3-ethyl-1-methylpyrazol-5-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-ethyl-1-methylpyrazol-5-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpyrimidin-4-amine
PubChem CID110225672
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name6-(3-ethyl-1-methylpyrazol-5-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpyrimidin-4-amine
SMILESCCc1cc(-c2cc(NC(C)Cc3ccccc3OC)nc(C)n2)n(C)n1
InChIInChI=1S/C21H27N5O/c1-6-17-12-19(26(4)25-17)18-13-21(24-15(3)23-18)22-14(2)11-16-9-7-8-10-20(16)27-5/h7-10,12-14H,6,11H2,1-5H3,(H,22,23,24)
InChIKeyHRXDXLCJVNUWQX-UHFFFAOYSA-N
XLogP3.80
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-1-methylpyrazol-5-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-ethyl-1-methylpyrazol-5-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpyrimidin-4-amine (CID 110225672) is 6-(3-ethyl-1-methylpyrazol-5-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-ethyl-1-methylpyrazol-5-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-ethyl-1-methylpyrazol-5-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpyrimidin-4-amine is CCc1cc(-c2cc(NC(C)Cc3ccccc3OC)nc(C)n2)n(C)n1.
What is the InChIKey of 6-(3-ethyl-1-methylpyrazol-5-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpyrimidin-4-amine?
The InChIKey is HRXDXLCJVNUWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-6-17-12-19(26(4)25-17)18-13-21(24-15(3)23-18)22-14(2)11-16-9-7-8-10-20(16)27-5/h7-10,12-14H,6,11H2,1-5H3,(H,22,23,24).
What are the key properties of 6-(3-ethyl-1-methylpyrazol-5-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpyrimidin-4-amine?
6-(3-ethyl-1-methylpyrazol-5-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpyrimidin-4-amine has a molecular weight of 365.48 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-1-methylpyrazol-5-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 110225672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).