4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide

C13H20BrN5O2 — CID 83104655

IUPAC4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCNc1ncc(Br)c(N2CCOCC2C(=O)NC(C)C)n1
InChIInChI=1S/C13H20BrN5O2/c1-8(2)17-12(20)10-7-21-5-4-19(10)11-9(14)6-16-13(15-3)18-11/h6,8,10H,4-5,7H2,1-3H3,(H,17,20)(H,15,16,18)
InChIKeyIVJGZZPOGIZZMA-UHFFFAOYSA-N
MW358.24 g/mol
LogP1.01
Rot. Bonds4

About 4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide

4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83104655) has the molecular formula C13H20BrN5O2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83104655
Molecular FormulaC13H20BrN5O2
Molecular Weight358.24 g/mol
Exact Mass357.08
IUPAC Name4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCNc1ncc(Br)c(N2CCOCC2C(=O)NC(C)C)n1
InChIInChI=1S/C13H20BrN5O2/c1-8(2)17-12(20)10-7-21-5-4-19(10)11-9(14)6-16-13(15-3)18-11/h6,8,10H,4-5,7H2,1-3H3,(H,17,20)(H,15,16,18)
InChIKeyIVJGZZPOGIZZMA-UHFFFAOYSA-N
XLogP1.01
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-ethylmorpholine-3-carboxamide
CID 83105980
4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105110
4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 103518402
4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106634
4-(3-amino-6-methyl-2-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106140
5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 104638974
4-(6-amino-2,5-dimethylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105267
4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103410
4-(2-bromo-4-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83098057
4-(6-hydrazinyl-2-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105801
2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid
CID 83101946
N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 118118161

Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide (CID 83104655) is 4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide is CNc1ncc(Br)c(N2CCOCC2C(=O)NC(C)C)n1.
What is the InChIKey of 4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is IVJGZZPOGIZZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN5O2/c1-8(2)17-12(20)10-7-21-5-4-19(10)11-9(14)6-16-13(15-3)18-11/h6,8,10H,4-5,7H2,1-3H3,(H,17,20)(H,15,16,18).
What are the key properties of 4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide?
4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 358.24 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83104655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).