tert-butyl N-(5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate

C15H21N3O2 — CID 154449142

IUPACtert-butyl N-(5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1=NCC(c2ccccc2)CN1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)18-13-16-9-12(10-17-13)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyOJZHWIVQCMJORO-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.25
Rot. Bonds1

About tert-butyl N-(5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate

tert-butyl N-(5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate (PubChem CID 154449142) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is tert-butyl N-(5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate
PubChem CID154449142
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nametert-butyl N-(5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1=NCC(c2ccccc2)CN1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)18-13-16-9-12(10-17-13)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyOJZHWIVQCMJORO-UHFFFAOYSA-N
XLogP2.25
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate
CID 123848326
methyl N-[5-(2,3-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate
CID 20546630
tert-butyl 2-methyl-3-[4-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-1,4,5,6-tetrahydropyrimidin-5-yl]phenoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate
CID 129250841
tert-butyl N-[5-(bromomethyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 45117895
tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate
CID 112544487
methyl N-(1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidin-2-yl)carbamate
CID 13034514
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
tert-butyl N-(2-oxoazepin-3-yl)carbamate
CID 21224786
tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
CID 178015225
tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate
CID 53439169
tert-butyl N-[[(5R)-3-oxo-5-phenylcyclohexen-1-yl]amino]carbamate
CID 878364
tert-butyl N-(7-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)carbamate
CID 118198848

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate (CID 154449142) is tert-butyl N-(5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate is CC(C)(C)OC(=O)NC1=NCC(c2ccccc2)CN1.
What is the InChIKey of tert-butyl N-(5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate?
The InChIKey is OJZHWIVQCMJORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)18-13-16-9-12(10-17-13)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of tert-butyl N-(5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate?
tert-butyl N-(5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate has a molecular weight of 275.35 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate is sourced from PubChem (CID 154449142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).