benzyl N-[(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]carbamate

C24H20N4O2 — CID 110088810

IUPACbenzyl N-[(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]carbamate
SMILESO=C(NCc1cc(-c2ccccc2)nc(-c2ccccn2)n1)OCc1ccccc1
InChIInChI=1S/C24H20N4O2/c29-24(30-17-18-9-3-1-4-10-18)26-16-20-15-22(19-11-5-2-6-12-19)28-23(27-20)21-13-7-8-14-25-21/h1-15H,16-17H2,(H,26,29)
InChIKeyYMMYDDHUDHAHDZ-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.63
Rot. Bonds6

About benzyl N-[(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]carbamate

benzyl N-[(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]carbamate (PubChem CID 110088810) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is benzyl N-[(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]carbamate
PubChem CID110088810
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Namebenzyl N-[(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]carbamate
SMILESO=C(NCc1cc(-c2ccccc2)nc(-c2ccccn2)n1)OCc1ccccc1
InChIInChI=1S/C24H20N4O2/c29-24(30-17-18-9-3-1-4-10-18)26-16-20-15-22(19-11-5-2-6-12-19)28-23(27-20)21-13-7-8-14-25-21/h1-15H,16-17H2,(H,26,29)
InChIKeyYMMYDDHUDHAHDZ-UHFFFAOYSA-N
XLogP4.63
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate
CID 143186995
benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate
CID 66870491
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate
CID 110714627
3-(phenylmethoxycarbonylaminomethyl)-1,2-oxazole-5-carboxylic acid
CID 167722476
benzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate
CID 121165477
4,6-diphenyl-2-pyridin-2-ylpyrimidine;ethane
CID 145283767
benzyl N-[(2S)-3-hydroxy-1-[[2-(3-pyridin-2-ylphenyl)acetyl]amino]butan-2-yl]carbamate
CID 70196744
benzyl N-[(5-amino-4-phenylpyrimidin-2-yl)methyl]carbamate
CID 122609184
pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 25153921
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]carbamate (CID 110088810) is benzyl N-[(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]carbamate is O=C(NCc1cc(-c2ccccc2)nc(-c2ccccn2)n1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]carbamate?
The InChIKey is YMMYDDHUDHAHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-24(30-17-18-9-3-1-4-10-18)26-16-20-15-22(19-11-5-2-6-12-19)28-23(27-20)21-13-7-8-14-25-21/h1-15H,16-17H2,(H,26,29).
What are the key properties of benzyl N-[(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]carbamate?
benzyl N-[(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]carbamate has a molecular weight of 396.45 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]carbamate is sourced from PubChem (CID 110088810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).