5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine

C15H15BrClN3 — CID 66303166

IUPAC5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2Cl)nc(C2CC2)c1Br
InChIInChI=1S/C15H15BrClN3/c1-2-18-15-12(16)13(9-7-8-9)19-14(20-15)10-5-3-4-6-11(10)17/h3-6,9H,2,7-8H2,1H3,(H,18,19,20)
InChIKeySTBPWHMXNWMMLP-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.87
Rot. Bonds4

About 5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine

5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine (PubChem CID 66303166) has the molecular formula C15H15BrClN3 and a molecular weight of 352.66 g/mol. Its IUPAC name is 5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
PubChem CID66303166
Molecular FormulaC15H15BrClN3
Molecular Weight352.66 g/mol
Exact Mass351.01
IUPAC Name5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2Cl)nc(C2CC2)c1Br
InChIInChI=1S/C15H15BrClN3/c1-2-18-15-12(16)13(9-7-8-9)19-14(20-15)10-5-3-4-6-11(10)17/h3-6,9H,2,7-8H2,1H3,(H,18,19,20)
InChIKeySTBPWHMXNWMMLP-UHFFFAOYSA-N
XLogP4.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine
CID 66295910
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306558
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66300377
5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine
CID 107504375
5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66306369
3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol
CID 66295900
5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 105410496
5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66304583
2-(2-chlorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472339
5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 66302548
5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine
CID 66295909
2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66303127

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine (CID 66303166) is 5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine is CCNc1nc(-c2ccccc2Cl)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine?
The InChIKey is STBPWHMXNWMMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3/c1-2-18-15-12(16)13(9-7-8-9)19-14(20-15)10-5-3-4-6-11(10)17/h3-6,9H,2,7-8H2,1H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine?
5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine has a molecular weight of 352.66 g/mol, XLogP of 4.87, 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-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 66303166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).