5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine

C14H16BrN3 — CID 66303082

IUPAC5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
SMILESCCNc1nc(Cc2cccc(C)c2)ncc1Br
InChIInChI=1S/C14H16BrN3/c1-3-16-14-12(15)9-17-13(18-14)8-11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeySIWFMDHTVUZLDA-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.57
Rot. Bonds4

About 5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine

5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine (PubChem CID 66303082) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
PubChem CID66303082
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
SMILESCCNc1nc(Cc2cccc(C)c2)ncc1Br
InChIInChI=1S/C14H16BrN3/c1-3-16-14-12(15)9-17-13(18-14)8-11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeySIWFMDHTVUZLDA-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine (CID 66303082) is 5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine is CCNc1nc(Cc2cccc(C)c2)ncc1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is SIWFMDHTVUZLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-3-16-14-12(15)9-17-13(18-14)8-11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine?
5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 306.21 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66303082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).