[6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethoxyphenyl)methanone

C23H31N3O4 — CID 11122528

IUPAC[6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethoxyphenyl)methanone
SMILESCCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(OC)cc(OC)cc2OC)c1C
InChIInChI=1S/C23H31N3O4/c1-7-10-26(13-16-8-9-16)23-14(2)21(24-15(3)25-23)22(27)20-18(29-5)11-17(28-4)12-19(20)30-6/h11-12,16H,7-10,13H2,1-6H3
InChIKeySNLBSUWBYOOLDF-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.98
Rot. Bonds10

About [6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethoxyphenyl)methanone

[6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethoxyphenyl)methanone (PubChem CID 11122528) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is [6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethoxyphenyl)methanone
PubChem CID11122528
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name[6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethoxyphenyl)methanone
SMILESCCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(OC)cc(OC)cc2OC)c1C
InChIInChI=1S/C23H31N3O4/c1-7-10-26(13-16-8-9-16)23-14(2)21(24-15(3)25-23)22(27)20-18(29-5)11-17(28-4)12-19(20)30-6/h11-12,16H,7-10,13H2,1-6H3
InChIKeySNLBSUWBYOOLDF-UHFFFAOYSA-N
XLogP3.98
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethoxyphenyl)methanone?
The IUPAC name of [6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethoxyphenyl)methanone (CID 11122528) is [6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethoxyphenyl)methanone.
What is the SMILES notation for [6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethoxyphenyl)methanone?
The canonical SMILES for [6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethoxyphenyl)methanone is CCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(OC)cc(OC)cc2OC)c1C.
What is the InChIKey of [6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethoxyphenyl)methanone?
The InChIKey is SNLBSUWBYOOLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-7-10-26(13-16-8-9-16)23-14(2)21(24-15(3)25-23)22(27)20-18(29-5)11-17(28-4)12-19(20)30-6/h11-12,16H,7-10,13H2,1-6H3.
What are the key properties of [6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethoxyphenyl)methanone?
[6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethoxyphenyl)methanone has a molecular weight of 413.52 g/mol, XLogP of 3.98, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethoxyphenyl)methanone is sourced from PubChem (CID 11122528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).