2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-propan-2-ylpropanamide

C11H17BrN4O2 — CID 106997888

IUPAC2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-propan-2-ylpropanamide
SMILESCOc1nc(NC(C)C(=O)NC(C)C)ncc1Br
InChIInChI=1S/C11H17BrN4O2/c1-6(2)14-9(17)7(3)15-11-13-5-8(12)10(16-11)18-4/h5-7H,1-4H3,(H,14,17)(H,13,15,16)
InChIKeyMNLGVGFEUXUQAF-UHFFFAOYSA-N
MW317.19 g/mol
LogP1.57
Rot. Bonds5

About 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-propan-2-ylpropanamide

2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 106997888) has the molecular formula C11H17BrN4O2 and a molecular weight of 317.19 g/mol. Its IUPAC name is 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-propan-2-ylpropanamide
PubChem CID106997888
Molecular FormulaC11H17BrN4O2
Molecular Weight317.19 g/mol
Exact Mass316.05
IUPAC Name2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-propan-2-ylpropanamide
SMILESCOc1nc(NC(C)C(=O)NC(C)C)ncc1Br
InChIInChI=1S/C11H17BrN4O2/c1-6(2)14-9(17)7(3)15-11-13-5-8(12)10(16-11)18-4/h5-7H,1-4H3,(H,14,17)(H,13,15,16)
InChIKeyMNLGVGFEUXUQAF-UHFFFAOYSA-N
XLogP1.57
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propanoic acid
CID 122049940
methyl 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2-phenylacetate
CID 106997695
(2S)-2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]hexanoic acid
CID 122062838
5-bromo-N-iodo-4-methoxypyrimidin-2-amine
CID 147407713
5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine
CID 106997926
5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine
CID 103745877
4-[1-[(5-bromo-4-methoxypyrimidin-2-yl)amino]ethyl]benzonitrile
CID 103745818
5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine
CID 106999864
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2,2-dimethylpropanamide
CID 103745842
5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine
CID 103846782
5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol
CID 107269299
1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 171992933

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-propan-2-ylpropanamide (CID 106997888) is 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-propan-2-ylpropanamide is COc1nc(NC(C)C(=O)NC(C)C)ncc1Br.
What is the InChIKey of 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is MNLGVGFEUXUQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2/c1-6(2)14-9(17)7(3)15-11-13-5-8(12)10(16-11)18-4/h5-7H,1-4H3,(H,14,17)(H,13,15,16).
What are the key properties of 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-propan-2-ylpropanamide?
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 317.19 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 106997888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).