(4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

C15H17BrN4O3 — CID 41090793

IUPAC(4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2ccc(Br)cc2)N=C(N2CCOCC2)N1
InChIInChI=1S/C15H17BrN4O3/c16-10-1-3-11(4-2-10)17-14(22)12-9-13(21)19-15(18-12)20-5-7-23-8-6-20/h1-4,12H,5-9H2,(H,17,22)(H,18,19,21)/t12-/m0/s1
InChIKeyPVUWQKBAPUHSQL-LBPRGKRZSA-N
MW381.23 g/mol
LogP0.96
Rot. Bonds2

About (4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

(4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 41090793) has the molecular formula C15H17BrN4O3 and a molecular weight of 381.23 g/mol. Its IUPAC name is (4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
PubChem CID41090793
Molecular FormulaC15H17BrN4O3
Molecular Weight381.23 g/mol
Exact Mass380.05
IUPAC Name(4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2ccc(Br)cc2)N=C(N2CCOCC2)N1
InChIInChI=1S/C15H17BrN4O3/c16-10-1-3-11(4-2-10)17-14(22)12-9-13(21)19-15(18-12)20-5-7-23-8-6-20/h1-4,12H,5-9H2,(H,17,22)(H,18,19,21)/t12-/m0/s1
InChIKeyPVUWQKBAPUHSQL-LBPRGKRZSA-N
XLogP0.96
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The IUPAC name of (4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 41090793) is (4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The canonical SMILES for (4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is O=C1C[C@@H](C(=O)Nc2ccc(Br)cc2)N=C(N2CCOCC2)N1.
What is the InChIKey of (4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The InChIKey is PVUWQKBAPUHSQL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17BrN4O3/c16-10-1-3-11(4-2-10)17-14(22)12-9-13(21)19-15(18-12)20-5-7-23-8-6-20/h1-4,12H,5-9H2,(H,17,22)(H,18,19,21)/t12-/m0/s1.
What are the key properties of (4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
(4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 381.23 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 41090793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).