5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine

C12H18BrN3O — CID 106998740

IUPAC5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine
SMILESCCN(c1ncc(Br)c(OC)n1)C1CCCC1
InChIInChI=1S/C12H18BrN3O/c1-3-16(9-6-4-5-7-9)12-14-8-10(13)11(15-12)17-2/h8-9H,3-7H2,1-2H3
InChIKeyXRKCZIBTXVCJBG-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.02
Rot. Bonds4

About 5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine

5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine (PubChem CID 106998740) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine
PubChem CID106998740
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine
SMILESCCN(c1ncc(Br)c(OC)n1)C1CCCC1
InChIInChI=1S/C12H18BrN3O/c1-3-16(9-6-4-5-7-9)12-14-8-10(13)11(15-12)17-2/h8-9H,3-7H2,1-2H3
InChIKeyXRKCZIBTXVCJBG-UHFFFAOYSA-N
XLogP3.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine
CID 106998192
5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine
CID 106999006
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine
CID 106997331
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cycloheptylpropane-1,3-diamine
CID 106997333
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine
CID 106998950
5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106998335
5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine
CID 106999735
2-N-cyclohexyl-2-N-ethylpyrimidine-2,5-diamine
CID 61147065
5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine
CID 106997817
5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106998327
5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine
CID 106998751
5-bromo-N-cyclohexyl-N-ethyl-4-methylpyridin-2-amine
CID 53410747

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine (CID 106998740) is 5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine is CCN(c1ncc(Br)c(OC)n1)C1CCCC1.
What is the InChIKey of 5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine?
The InChIKey is XRKCZIBTXVCJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-3-16(9-6-4-5-7-9)12-14-8-10(13)11(15-12)17-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine?
5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine has a molecular weight of 300.20 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 106998740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).