6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine

C14H14BrN3O — CID 80965887

IUPAC6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccc(Br)cc2)nc(C2CC2)n1
InChIInChI=1S/C14H14BrN3O/c1-16-12-8-13(18-14(17-12)9-2-3-9)19-11-6-4-10(15)5-7-11/h4-9H,2-3H2,1H3,(H,16,17,18)
InChIKeyNFVDCHOVEWGHMC-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.95
Rot. Bonds4

About 6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine

6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 80965887) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID80965887
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccc(Br)cc2)nc(C2CC2)n1
InChIInChI=1S/C14H14BrN3O/c1-16-12-8-13(18-14(17-12)9-2-3-9)19-11-6-4-10(15)5-7-11/h4-9H,2-3H2,1H3,(H,16,17,18)
InChIKeyNFVDCHOVEWGHMC-UHFFFAOYSA-N
XLogP3.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine
CID 80966664
2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine
CID 80966422
6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80963096
3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80965882
2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80965780
2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80965737
2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine
CID 102989022
6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965597
2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
CID 80957766
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 116691215
6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80966029
4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine
CID 80948365

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine (CID 80965887) is 6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine is CNc1cc(Oc2ccc(Br)cc2)nc(C2CC2)n1.
What is the InChIKey of 6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is NFVDCHOVEWGHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-16-12-8-13(18-14(17-12)9-2-3-9)19-11-6-4-10(15)5-7-11/h4-9H,2-3H2,1H3,(H,16,17,18).
What are the key properties of 6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine?
6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 320.19 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80965887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).