6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine

C14H16BrN3O — CID 82825468

IUPAC6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCc2ccccc2Br)ncn1
InChIInChI=1S/C14H16BrN3O/c1-2-7-16-13-8-14(18-10-17-13)19-9-11-5-3-4-6-12(11)15/h3-6,8,10H,2,7,9H2,1H3,(H,16,17,18)
InChIKeyDMABIYVAUYYNOJ-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.64
Rot. Bonds6

About 6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine

6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine (PubChem CID 82825468) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine
PubChem CID82825468
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCc2ccccc2Br)ncn1
InChIInChI=1S/C14H16BrN3O/c1-2-7-16-13-8-14(18-10-17-13)19-9-11-5-3-4-6-12(11)15/h3-6,8,10H,2,7,9H2,1H3,(H,16,17,18)
InChIKeyDMABIYVAUYYNOJ-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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Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine?
The IUPAC name of 6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine (CID 82825468) is 6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine is CCCNc1cc(OCc2ccccc2Br)ncn1.
What is the InChIKey of 6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine?
The InChIKey is DMABIYVAUYYNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-2-7-16-13-8-14(18-10-17-13)19-9-11-5-3-4-6-12(11)15/h3-6,8,10H,2,7,9H2,1H3,(H,16,17,18).
What are the key properties of 6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine?
6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-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 6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 82825468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).