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

C23H31N3O — CID 10474043

IUPAC[6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C
InChIInChI=1S/C23H31N3O/c1-7-10-26(13-19-8-9-19)23-17(5)21(24-18(6)25-23)22(27)20-15(3)11-14(2)12-16(20)4/h11-12,19H,7-10,13H2,1-6H3
InChIKeyCGGIHGFGMZBHBI-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.88
Rot. Bonds7

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

[6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 10474043) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is [6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethylphenyl)methanone
PubChem CID10474043
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name[6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C
InChIInChI=1S/C23H31N3O/c1-7-10-26(13-19-8-9-19)23-17(5)21(24-18(6)25-23)22(27)20-15(3)11-14(2)12-16(20)4/h11-12,19H,7-10,13H2,1-6H3
InChIKeyCGGIHGFGMZBHBI-UHFFFAOYSA-N
XLogP4.88
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-trimethylphenyl)methanone?
The IUPAC name of [6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethylphenyl)methanone (CID 10474043) is [6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethylphenyl)methanone is CCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C.
What is the InChIKey of [6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is CGGIHGFGMZBHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-7-10-26(13-19-8-9-19)23-17(5)21(24-18(6)25-23)22(27)20-15(3)11-14(2)12-16(20)4/h11-12,19H,7-10,13H2,1-6H3.
What are the key properties of [6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethylphenyl)methanone?
[6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 365.52 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 10474043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).