4-(3-bromophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine

C13H16BrN3 — CID 70325118

IUPAC4-(3-bromophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine
SMILESC=C1CC(C)(c2cccc(Br)c2)N=C(N)N1C
InChIInChI=1S/C13H16BrN3/c1-9-8-13(2,16-12(15)17(9)3)10-5-4-6-11(14)7-10/h4-7H,1,8H2,2-3H3,(H2,15,16)
InChIKeyRKTOBIAETDHGGW-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.83
Rot. Bonds1

About 4-(3-bromophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine

4-(3-bromophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine (PubChem CID 70325118) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 4-(3-bromophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine
PubChem CID70325118
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name4-(3-bromophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine
SMILESC=C1CC(C)(c2cccc(Br)c2)N=C(N)N1C
InChIInChI=1S/C13H16BrN3/c1-9-8-13(2,16-12(15)17(9)3)10-5-4-6-11(14)7-10/h4-7H,1,8H2,2-3H3,(H2,15,16)
InChIKeyRKTOBIAETDHGGW-UHFFFAOYSA-N
XLogP2.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine?
The IUPAC name of 4-(3-bromophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine (CID 70325118) is 4-(3-bromophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine?
The canonical SMILES for 4-(3-bromophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine is C=C1CC(C)(c2cccc(Br)c2)N=C(N)N1C.
What is the InChIKey of 4-(3-bromophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine?
The InChIKey is RKTOBIAETDHGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-8-13(2,16-12(15)17(9)3)10-5-4-6-11(14)7-10/h4-7H,1,8H2,2-3H3,(H2,15,16).
What are the key properties of 4-(3-bromophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine?
4-(3-bromophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine has a molecular weight of 294.20 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine is sourced from PubChem (CID 70325118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).