5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine

C13H22BrN3 — CID 66305753

IUPAC5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CC(C)(C)C)nc(NC)c1Br
InChIInChI=1S/C13H22BrN3/c1-6-7-9-11(14)12(15-5)17-10(16-9)8-13(2,3)4/h6-8H2,1-5H3,(H,15,16,17)
InChIKeySIDQQJQFLGCTPX-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.82
Rot. Bonds4

About 5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine

5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 66305753) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine
PubChem CID66305753
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CC(C)(C)C)nc(NC)c1Br
InChIInChI=1S/C13H22BrN3/c1-6-7-9-11(14)12(15-5)17-10(16-9)8-13(2,3)4/h6-8H2,1-5H3,(H,15,16,17)
InChIKeySIDQQJQFLGCTPX-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine
CID 66306541
5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66307745
5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 116729389
5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305152
5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66307338
5-bromo-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 66304757
5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66305557
5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66305558
5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 66307742
5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine
CID 66296714
5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305550
5-bromo-6-ethyl-N-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79964336

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine (CID 66305753) is 5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(CC(C)(C)C)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is SIDQQJQFLGCTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-6-7-9-11(14)12(15-5)17-10(16-9)8-13(2,3)4/h6-8H2,1-5H3,(H,15,16,17).
What are the key properties of 5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine?
5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 300.24 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66305753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).