N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine

C10H15BrN4O — CID 106998192

IUPACN-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine
SMILESCCN(c1ncc(Br)c(OC)n1)C1CNC1
InChIInChI=1S/C10H15BrN4O/c1-3-15(7-4-12-5-7)10-13-6-8(11)9(14-10)16-2/h6-7,12H,3-5H2,1-2H3
InChIKeyRSLMGTBFSYMWCP-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.05
Rot. Bonds4

About N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine

N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine (PubChem CID 106998192) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine
PubChem CID106998192
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC NameN-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine
SMILESCCN(c1ncc(Br)c(OC)n1)C1CNC1
InChIInChI=1S/C10H15BrN4O/c1-3-15(7-4-12-5-7)10-13-6-8(11)9(14-10)16-2/h6-7,12H,3-5H2,1-2H3
InChIKeyRSLMGTBFSYMWCP-UHFFFAOYSA-N
XLogP1.05
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine
CID 106998740
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine
CID 106998950
N-(azetidin-3-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 66182420
5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine
CID 106998751
N-ethyl-5-methoxy-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 114600914
5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106998335
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-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine
CID 106999735
5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999813
N-(azetidin-3-yl)-N-ethyl-5-methoxy-2-methylpyridin-4-amine
CID 106660883

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine?
The IUPAC name of N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine (CID 106998192) is N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine is CCN(c1ncc(Br)c(OC)n1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine?
The InChIKey is RSLMGTBFSYMWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-3-15(7-4-12-5-7)10-13-6-8(11)9(14-10)16-2/h6-7,12H,3-5H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine?
N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine has a molecular weight of 287.16 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 106998192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).