(2-phenylpyrimidin-5-yl) N-[(3,4-dimethoxyphenyl)methyl]carbamate

C20H19N3O4 — CID 90300892

IUPAC(2-phenylpyrimidin-5-yl) N-[(3,4-dimethoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)Oc2cnc(-c3ccccc3)nc2)cc1OC
InChIInChI=1S/C20H19N3O4/c1-25-17-9-8-14(10-18(17)26-2)11-23-20(24)27-16-12-21-19(22-13-16)15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,23,24)
InChIKeyIKBADVWLZGHEPA-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.45
Rot. Bonds6

About (2-phenylpyrimidin-5-yl) N-[(3,4-dimethoxyphenyl)methyl]carbamate

(2-phenylpyrimidin-5-yl) N-[(3,4-dimethoxyphenyl)methyl]carbamate (PubChem CID 90300892) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (2-phenylpyrimidin-5-yl) N-[(3,4-dimethoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name(2-phenylpyrimidin-5-yl) N-[(3,4-dimethoxyphenyl)methyl]carbamate
PubChem CID90300892
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(2-phenylpyrimidin-5-yl) N-[(3,4-dimethoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)Oc2cnc(-c3ccccc3)nc2)cc1OC
InChIInChI=1S/C20H19N3O4/c1-25-17-9-8-14(10-18(17)26-2)11-23-20(24)27-16-12-21-19(22-13-16)15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,23,24)
InChIKeyIKBADVWLZGHEPA-UHFFFAOYSA-N
XLogP3.45
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 53080400
N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683588
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277
phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108575202
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 110648795
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
CID 38223348
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 17052400
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
CID 110355750
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63866016

Frequently Asked Questions

What is the IUPAC name of (2-phenylpyrimidin-5-yl) N-[(3,4-dimethoxyphenyl)methyl]carbamate?
The IUPAC name of (2-phenylpyrimidin-5-yl) N-[(3,4-dimethoxyphenyl)methyl]carbamate (CID 90300892) is (2-phenylpyrimidin-5-yl) N-[(3,4-dimethoxyphenyl)methyl]carbamate.
What is the SMILES notation for (2-phenylpyrimidin-5-yl) N-[(3,4-dimethoxyphenyl)methyl]carbamate?
The canonical SMILES for (2-phenylpyrimidin-5-yl) N-[(3,4-dimethoxyphenyl)methyl]carbamate is COc1ccc(CNC(=O)Oc2cnc(-c3ccccc3)nc2)cc1OC.
What is the InChIKey of (2-phenylpyrimidin-5-yl) N-[(3,4-dimethoxyphenyl)methyl]carbamate?
The InChIKey is IKBADVWLZGHEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-25-17-9-8-14(10-18(17)26-2)11-23-20(24)27-16-12-21-19(22-13-16)15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,23,24).
What are the key properties of (2-phenylpyrimidin-5-yl) N-[(3,4-dimethoxyphenyl)methyl]carbamate?
(2-phenylpyrimidin-5-yl) N-[(3,4-dimethoxyphenyl)methyl]carbamate has a molecular weight of 365.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylpyrimidin-5-yl) N-[(3,4-dimethoxyphenyl)methyl]carbamate is sourced from PubChem (CID 90300892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).