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

C14H19N3O2 — CID 13034517

IUPACpropyl N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate
SMILESCCCOC(=O)NC1=NCCC(c2ccccc2)N1
InChIInChI=1S/C14H19N3O2/c1-2-10-19-14(18)17-13-15-9-8-12(16-13)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H2,15,16,17,18)
InChIKeyQXNOAFAJWRRMGG-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.21
Rot. Bonds3

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

propyl N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate (PubChem CID 13034517) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is propyl N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate.

Molecular Properties

Compound Namepropyl N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate
PubChem CID13034517
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namepropyl N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate
SMILESCCCOC(=O)NC1=NCCC(c2ccccc2)N1
InChIInChI=1S/C14H19N3O2/c1-2-10-19-14(18)17-13-15-9-8-12(16-13)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H2,15,16,17,18)
InChIKeyQXNOAFAJWRRMGG-UHFFFAOYSA-N
XLogP2.21
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate?
The IUPAC name of propyl N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate (CID 13034517) is propyl N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate.
What is the SMILES notation for propyl N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate?
The canonical SMILES for propyl N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate is CCCOC(=O)NC1=NCCC(c2ccccc2)N1.
What is the InChIKey of propyl N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate?
The InChIKey is QXNOAFAJWRRMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-10-19-14(18)17-13-15-9-8-12(16-13)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H2,15,16,17,18).
What are the key properties of propyl N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate?
propyl N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate has a molecular weight of 261.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate is sourced from PubChem (CID 13034517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).