4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine

C14H16BrN3O — CID 82825921

IUPAC4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(OCc2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrN3O/c1-2-7-16-14-17-8-6-13(18-14)19-10-11-4-3-5-12(15)9-11/h3-6,8-9H,2,7,10H2,1H3,(H,16,17,18)
InChIKeyPJWAZPOJTISRMT-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.64
Rot. Bonds6

About 4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine

4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine (PubChem CID 82825921) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine
PubChem CID82825921
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(OCc2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrN3O/c1-2-7-16-14-17-8-6-13(18-14)19-10-11-4-3-5-12(15)9-11/h3-6,8-9H,2,7,10H2,1H3,(H,16,17,18)
InChIKeyPJWAZPOJTISRMT-UHFFFAOYSA-N
XLogP3.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxyphenyl)methoxy]-N-propylpyrimidin-2-amine
CID 80866869
4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine
CID 82826004
4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 114677390
N-[2-(3-bromophenoxy)ethyl]-4-methoxypyrimidin-2-amine
CID 133270166
2-[2-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80860272
6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine
CID 82808541
4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881871
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80860263
4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80761889
4-(2-bromo-4-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80881715

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine (CID 82825921) is 4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine is CCCNc1nccc(OCc2cccc(Br)c2)n1.
What is the InChIKey of 4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine?
The InChIKey is PJWAZPOJTISRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-2-7-16-14-17-8-6-13(18-14)19-10-11-4-3-5-12(15)9-11/h3-6,8-9H,2,7,10H2,1H3,(H,16,17,18).
What are the key properties of 4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine?
4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine has a molecular weight of 322.21 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 82825921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).