pyrimidin-5-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate

C24H27N3O3 — CID 139888213

IUPACpyrimidin-5-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate
SMILESO=C(NC(CC(O)CCCc1ccccc1)c1ccccc1)OCc1cncnc1
InChIInChI=1S/C24H27N3O3/c28-22(13-7-10-19-8-3-1-4-9-19)14-23(21-11-5-2-6-12-21)27-24(29)30-17-20-15-25-18-26-16-20/h1-6,8-9,11-12,15-16,18,22-23,28H,7,10,13-14,17H2,(H,27,29)
InChIKeyASPIUHFKQVWGHU-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.22
Rot. Bonds10

About pyrimidin-5-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate

pyrimidin-5-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate (PubChem CID 139888213) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is pyrimidin-5-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate.

Molecular Properties

Compound Namepyrimidin-5-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate
PubChem CID139888213
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Namepyrimidin-5-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate
SMILESO=C(NC(CC(O)CCCc1ccccc1)c1ccccc1)OCc1cncnc1
InChIInChI=1S/C24H27N3O3/c28-22(13-7-10-19-8-3-1-4-9-19)14-23(21-11-5-2-6-12-21)27-24(29)30-17-20-15-25-18-26-16-20/h1-6,8-9,11-12,15-16,18,22-23,28H,7,10,13-14,17H2,(H,27,29)
InChIKeyASPIUHFKQVWGHU-UHFFFAOYSA-N
XLogP4.22
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-3-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate
CID 23354491
tert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate
CID 19963746
benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 11011061
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
CID 44607655
benzyl N-(1-phenylbutyl)carbamate
CID 101400436
benzyl N-(3,4-dihydroxy-4-pyrimidin-5-ylbutyl)carbamate
CID 171887825
benzyl N-(4-chloro-3-oxo-1-phenylbutyl)carbamate;1,3-dichloropropan-2-one
CID 157156097
benzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate
CID 11689462
methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 11833969
hydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium
CID 172826308
benzyl N-(1-chloro-2-oxo-5-phenylpentan-3-yl)carbamate
CID 114929890
2-hydroxy-N-(2-hydroxy-1-phenylethyl)-5-phenylpentanamide
CID 129208132

Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate?
The IUPAC name of pyrimidin-5-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate (CID 139888213) is pyrimidin-5-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate.
What is the SMILES notation for pyrimidin-5-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate?
The canonical SMILES for pyrimidin-5-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate is O=C(NC(CC(O)CCCc1ccccc1)c1ccccc1)OCc1cncnc1.
What is the InChIKey of pyrimidin-5-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate?
The InChIKey is ASPIUHFKQVWGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-22(13-7-10-19-8-3-1-4-9-19)14-23(21-11-5-2-6-12-21)27-24(29)30-17-20-15-25-18-26-16-20/h1-6,8-9,11-12,15-16,18,22-23,28H,7,10,13-14,17H2,(H,27,29).
What are the key properties of pyrimidin-5-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate?
pyrimidin-5-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate has a molecular weight of 405.50 g/mol, XLogP of 4.22, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate is sourced from PubChem (CID 139888213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).