3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide

C21H27N3O3 — CID 126444902

IUPAC3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
SMILESCc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCn1c(C)cc(C)nc1=O
InChIInChI=1S/C21H27N3O3/c1-13-6-7-16-17(12-21(4,5)27-18(16)10-13)23-19(25)8-9-24-15(3)11-14(2)22-20(24)26/h6-7,10-11,17H,8-9,12H2,1-5H3,(H,23,25)/t17-/m1/s1
InChIKeyGQWAKYXBZAJRPL-QGZVFWFLSA-N
MW369.47 g/mol
LogP2.98
Rot. Bonds4

About 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide (PubChem CID 126444902) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
PubChem CID126444902
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
SMILESCc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCn1c(C)cc(C)nc1=O
InChIInChI=1S/C21H27N3O3/c1-13-6-7-16-17(12-21(4,5)27-18(16)10-13)23-19(25)8-9-24-15(3)11-14(2)22-20(24)26/h6-7,10-11,17H,8-9,12H2,1-5H3,(H,23,25)/t17-/m1/s1
InChIKeyGQWAKYXBZAJRPL-QGZVFWFLSA-N
XLogP2.98
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 118780187
3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100590455
2-(4-chlorophenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132652521
2-(3-bromophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100701250
2-(2-fluorophenyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637040
2-(3,4-dimethylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132653312
4-(4-chlorophenyl)sulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132662172
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133251790
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132665004
2-(2-methoxyphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132653577
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43895274
2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132652411

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide (CID 126444902) is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide is Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCn1c(C)cc(C)nc1=O.
What is the InChIKey of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
The InChIKey is GQWAKYXBZAJRPL-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-13-6-7-16-17(12-21(4,5)27-18(16)10-13)23-19(25)8-9-24-15(3)11-14(2)22-20(24)26/h6-7,10-11,17H,8-9,12H2,1-5H3,(H,23,25)/t17-/m1/s1.
What are the key properties of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide has a molecular weight of 369.47 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide is sourced from PubChem (CID 126444902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).