[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate

C22H24N4O4 — CID 175409490

IUPAC[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nccc(COC(N)=O)n2)cc1
InChIInChI=1S/C22H24N4O4/c1-28-19-7-3-16(4-8-19)13-26(14-17-5-9-20(29-2)10-6-17)22-24-12-11-18(25-22)15-30-21(23)27/h3-12H,13-15H2,1-2H3,(H2,23,27)
InChIKeyVEHYYYGYZOMNRR-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.30
Rot. Bonds9

About [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate

[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate (PubChem CID 175409490) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate.

Molecular Properties

Compound Name[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate
PubChem CID175409490
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nccc(COC(N)=O)n2)cc1
InChIInChI=1S/C22H24N4O4/c1-28-19-7-3-16(4-8-19)13-26(14-17-5-9-20(29-2)10-6-17)22-24-12-11-18(25-22)15-30-21(23)27/h3-12H,13-15H2,1-2H3,(H2,23,27)
InChIKeyVEHYYYGYZOMNRR-UHFFFAOYSA-N
XLogP3.30
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl N-tert-butylcarbamate
CID 175327963
4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 134264948
1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone
CID 67294293
4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide
CID 12031517
2-[benzyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306437
4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 165433420
N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine
CID 60875696
[6-[[[4-(dimethylamino)phenyl]methyl-[(4-methoxyphenyl)methyl]carbamoyl]oxymethyl]-2-pyridinyl]methyl N-[[4-(dimethylamino)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]carbamate
CID 164739638
4-[[carbamoyl-[(4-methoxyphenyl)methyl]amino]methyl]benzoic acid
CID 67078697
ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate
CID 110180031
[4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate
CID 175036962
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489

Frequently Asked Questions

What is the IUPAC name of [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate?
The IUPAC name of [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate (CID 175409490) is [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate.
What is the SMILES notation for [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate?
The canonical SMILES for [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate is COc1ccc(CN(Cc2ccc(OC)cc2)c2nccc(COC(N)=O)n2)cc1.
What is the InChIKey of [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate?
The InChIKey is VEHYYYGYZOMNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-28-19-7-3-16(4-8-19)13-26(14-17-5-9-20(29-2)10-6-17)22-24-12-11-18(25-22)15-30-21(23)27/h3-12H,13-15H2,1-2H3,(H2,23,27).
What are the key properties of [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate?
[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate has a molecular weight of 408.46 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate is sourced from PubChem (CID 175409490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).