5-[cyclopropylmethyl(propyl)amino]-2-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-diethylpyrimidin-4-one

C29H44N4O3 — CID 69417698

IUPAC5-[cyclopropylmethyl(propyl)amino]-2-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-diethylpyrimidin-4-one
SMILESCCCN(CC1CC1)c1c(CC)nc(-c2c(C)cc(C)cc2OCCN2CCOCC2)n(CC)c1=O
InChIInChI=1S/C29H44N4O3/c1-6-11-32(20-23-9-10-23)27-24(7-2)30-28(33(8-3)29(27)34)26-22(5)18-21(4)19-25(26)36-17-14-31-12-15-35-16-13-31/h18-19,23H,6-17,20H2,1-5H3
InChIKeyYWCYOROEYUCHLC-UHFFFAOYSA-N
MW496.70 g/mol
LogP4.45
Rot. Bonds12

About 5-[cyclopropylmethyl(propyl)amino]-2-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-diethylpyrimidin-4-one

5-[cyclopropylmethyl(propyl)amino]-2-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-diethylpyrimidin-4-one (PubChem CID 69417698) has the molecular formula C29H44N4O3 and a molecular weight of 496.70 g/mol. Its IUPAC name is 5-[cyclopropylmethyl(propyl)amino]-2-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-diethylpyrimidin-4-one.

Molecular Properties

Compound Name5-[cyclopropylmethyl(propyl)amino]-2-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-diethylpyrimidin-4-one
PubChem CID69417698
Molecular FormulaC29H44N4O3
Molecular Weight496.70 g/mol
Exact Mass496.34
IUPAC Name5-[cyclopropylmethyl(propyl)amino]-2-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-diethylpyrimidin-4-one
SMILESCCCN(CC1CC1)c1c(CC)nc(-c2c(C)cc(C)cc2OCCN2CCOCC2)n(CC)c1=O
InChIInChI=1S/C29H44N4O3/c1-6-11-32(20-23-9-10-23)27-24(7-2)30-28(33(8-3)29(27)34)26-22(5)18-21(4)19-25(26)36-17-14-31-12-15-35-16-13-31/h18-19,23H,6-17,20H2,1-5H3
InChIKeyYWCYOROEYUCHLC-UHFFFAOYSA-N
XLogP4.45
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.70
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylmethyl(propyl)amino]-2-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-diethylpyrimidin-4-one?
The IUPAC name of 5-[cyclopropylmethyl(propyl)amino]-2-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-diethylpyrimidin-4-one (CID 69417698) is 5-[cyclopropylmethyl(propyl)amino]-2-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-diethylpyrimidin-4-one.
What is the SMILES notation for 5-[cyclopropylmethyl(propyl)amino]-2-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-diethylpyrimidin-4-one?
The canonical SMILES for 5-[cyclopropylmethyl(propyl)amino]-2-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-diethylpyrimidin-4-one is CCCN(CC1CC1)c1c(CC)nc(-c2c(C)cc(C)cc2OCCN2CCOCC2)n(CC)c1=O.
What is the InChIKey of 5-[cyclopropylmethyl(propyl)amino]-2-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-diethylpyrimidin-4-one?
The InChIKey is YWCYOROEYUCHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N4O3/c1-6-11-32(20-23-9-10-23)27-24(7-2)30-28(33(8-3)29(27)34)26-22(5)18-21(4)19-25(26)36-17-14-31-12-15-35-16-13-31/h18-19,23H,6-17,20H2,1-5H3.
What are the key properties of 5-[cyclopropylmethyl(propyl)amino]-2-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-diethylpyrimidin-4-one?
5-[cyclopropylmethyl(propyl)amino]-2-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-diethylpyrimidin-4-one has a molecular weight of 496.70 g/mol, XLogP of 4.45, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropylmethyl(propyl)amino]-2-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-diethylpyrimidin-4-one is sourced from PubChem (CID 69417698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).