6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine

C16H18BrN3O — CID 106262382

IUPAC6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1ccccc1CCNc1cc(Br)nc(C2CC2)n1
InChIInChI=1S/C16H18BrN3O/c1-21-13-5-3-2-4-11(13)8-9-18-15-10-14(17)19-16(20-15)12-6-7-12/h2-5,10,12H,6-9H2,1H3,(H,18,19,20)
InChIKeyYKFHTDSSJWVQLG-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.78
Rot. Bonds6

About 6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine

6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine (PubChem CID 106262382) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
PubChem CID106262382
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1ccccc1CCNc1cc(Br)nc(C2CC2)n1
InChIInChI=1S/C16H18BrN3O/c1-21-13-5-3-2-4-11(13)8-9-18-15-10-14(17)19-16(20-15)12-6-7-12/h2-5,10,12H,6-9H2,1H3,(H,18,19,20)
InChIKeyYKFHTDSSJWVQLG-UHFFFAOYSA-N
XLogP3.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 114165599
6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 106262726
2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112884339
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112867874
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910186
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112920951
N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125177138
N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 114133171
2-N-(4-bromophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894961
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112872453
2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 112894924
4-N-butan-2-yl-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112868258

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine (CID 106262382) is 6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine is COc1ccccc1CCNc1cc(Br)nc(C2CC2)n1.
What is the InChIKey of 6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is YKFHTDSSJWVQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-21-13-5-3-2-4-11(13)8-9-18-15-10-14(17)19-16(20-15)12-6-7-12/h2-5,10,12H,6-9H2,1H3,(H,18,19,20).
What are the key properties of 6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine?
6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 348.24 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106262382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).