(4-methyl-2-phenylpyrimidin-5-yl)methyl N-(4-methyl-2-methylidenechromen-7-yl)carbamate

C24H21N3O3 — CID 134350147

IUPAC(4-methyl-2-phenylpyrimidin-5-yl)methyl N-(4-methyl-2-methylidenechromen-7-yl)carbamate
SMILESC=C1C=C(C)c2ccc(NC(=O)OCc3cnc(-c4ccccc4)nc3C)cc2O1
InChIInChI=1S/C24H21N3O3/c1-15-11-16(2)30-22-12-20(9-10-21(15)22)27-24(28)29-14-19-13-25-23(26-17(19)3)18-7-5-4-6-8-18/h4-13H,2,14H2,1,3H3,(H,27,28)
InChIKeyXUHHMVQOHXVXIP-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.51
Rot. Bonds4

About (4-methyl-2-phenylpyrimidin-5-yl)methyl N-(4-methyl-2-methylidenechromen-7-yl)carbamate

(4-methyl-2-phenylpyrimidin-5-yl)methyl N-(4-methyl-2-methylidenechromen-7-yl)carbamate (PubChem CID 134350147) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is (4-methyl-2-phenylpyrimidin-5-yl)methyl N-(4-methyl-2-methylidenechromen-7-yl)carbamate.

Molecular Properties

Compound Name(4-methyl-2-phenylpyrimidin-5-yl)methyl N-(4-methyl-2-methylidenechromen-7-yl)carbamate
PubChem CID134350147
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name(4-methyl-2-phenylpyrimidin-5-yl)methyl N-(4-methyl-2-methylidenechromen-7-yl)carbamate
SMILESC=C1C=C(C)c2ccc(NC(=O)OCc3cnc(-c4ccccc4)nc3C)cc2O1
InChIInChI=1S/C24H21N3O3/c1-15-11-16(2)30-22-12-20(9-10-21(15)22)27-24(28)29-14-19-13-25-23(26-17(19)3)18-7-5-4-6-8-18/h4-13H,2,14H2,1,3H3,(H,27,28)
InChIKeyXUHHMVQOHXVXIP-UHFFFAOYSA-N
XLogP5.51
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[1-[[6-amino-1-[(4-methyl-2-methylidenechromen-7-yl)amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 142189018
ethyl 2-amino-3-(4-methyl-2-phenylpyrimidin-5-yl)propanoate
CID 170884928
ethyl 4-[(4-methyl-2-phenylpyrimidine-5-carbonyl)amino]benzoate
CID 53080370
benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 110643709
1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine
CID 170888827
N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 96596105
benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate
CID 22618116
benzyl N-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
CID 119009610
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 3634035
4-(4-methyl-2-phenylpyrimidin-5-yl)-2,6-diphenylpyrimidine
CID 12537657
N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 110864853

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenylpyrimidin-5-yl)methyl N-(4-methyl-2-methylidenechromen-7-yl)carbamate?
The IUPAC name of (4-methyl-2-phenylpyrimidin-5-yl)methyl N-(4-methyl-2-methylidenechromen-7-yl)carbamate (CID 134350147) is (4-methyl-2-phenylpyrimidin-5-yl)methyl N-(4-methyl-2-methylidenechromen-7-yl)carbamate.
What is the SMILES notation for (4-methyl-2-phenylpyrimidin-5-yl)methyl N-(4-methyl-2-methylidenechromen-7-yl)carbamate?
The canonical SMILES for (4-methyl-2-phenylpyrimidin-5-yl)methyl N-(4-methyl-2-methylidenechromen-7-yl)carbamate is C=C1C=C(C)c2ccc(NC(=O)OCc3cnc(-c4ccccc4)nc3C)cc2O1.
What is the InChIKey of (4-methyl-2-phenylpyrimidin-5-yl)methyl N-(4-methyl-2-methylidenechromen-7-yl)carbamate?
The InChIKey is XUHHMVQOHXVXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-15-11-16(2)30-22-12-20(9-10-21(15)22)27-24(28)29-14-19-13-25-23(26-17(19)3)18-7-5-4-6-8-18/h4-13H,2,14H2,1,3H3,(H,27,28).
What are the key properties of (4-methyl-2-phenylpyrimidin-5-yl)methyl N-(4-methyl-2-methylidenechromen-7-yl)carbamate?
(4-methyl-2-phenylpyrimidin-5-yl)methyl N-(4-methyl-2-methylidenechromen-7-yl)carbamate has a molecular weight of 399.45 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenylpyrimidin-5-yl)methyl N-(4-methyl-2-methylidenechromen-7-yl)carbamate is sourced from PubChem (CID 134350147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).