tert-butyl N-[4-(6-oxo-1H-pyrimidin-4-yl)cyclohex-3-en-1-yl]carbamate

C15H21N3O3 — CID 167436725

IUPACtert-butyl N-[4-(6-oxo-1H-pyrimidin-4-yl)cyclohex-3-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC=C(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-11-6-4-10(5-7-11)12-8-13(19)17-9-16-12/h4,8-9,11H,5-7H2,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyOVYNCAOIVWAWPW-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.23
Rot. Bonds2

About tert-butyl N-[4-(6-oxo-1H-pyrimidin-4-yl)cyclohex-3-en-1-yl]carbamate

tert-butyl N-[4-(6-oxo-1H-pyrimidin-4-yl)cyclohex-3-en-1-yl]carbamate (PubChem CID 167436725) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is tert-butyl N-[4-(6-oxo-1H-pyrimidin-4-yl)cyclohex-3-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(6-oxo-1H-pyrimidin-4-yl)cyclohex-3-en-1-yl]carbamate
PubChem CID167436725
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nametert-butyl N-[4-(6-oxo-1H-pyrimidin-4-yl)cyclohex-3-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC=C(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-11-6-4-10(5-7-11)12-8-13(19)17-9-16-12/h4,8-9,11H,5-7H2,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyOVYNCAOIVWAWPW-UHFFFAOYSA-N
XLogP2.23
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(6-oxo-1H-pyrimidin-4-yl)cyclohex-3-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(6-oxo-1H-pyrimidin-4-yl)cyclohex-3-en-1-yl]carbamate (CID 167436725) is tert-butyl N-[4-(6-oxo-1H-pyrimidin-4-yl)cyclohex-3-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(6-oxo-1H-pyrimidin-4-yl)cyclohex-3-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(6-oxo-1H-pyrimidin-4-yl)cyclohex-3-en-1-yl]carbamate is CC(C)(C)OC(=O)NC1CC=C(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of tert-butyl N-[4-(6-oxo-1H-pyrimidin-4-yl)cyclohex-3-en-1-yl]carbamate?
The InChIKey is OVYNCAOIVWAWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-11-6-4-10(5-7-11)12-8-13(19)17-9-16-12/h4,8-9,11H,5-7H2,1-3H3,(H,18,20)(H,16,17,19).
What are the key properties of tert-butyl N-[4-(6-oxo-1H-pyrimidin-4-yl)cyclohex-3-en-1-yl]carbamate?
tert-butyl N-[4-(6-oxo-1H-pyrimidin-4-yl)cyclohex-3-en-1-yl]carbamate has a molecular weight of 291.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(6-oxo-1H-pyrimidin-4-yl)cyclohex-3-en-1-yl]carbamate is sourced from PubChem (CID 167436725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).