4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine

C14H17BrN4 — CID 107541717

IUPAC4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine
SMILESCc1cc(CN)nc(N(C)Cc2ccccc2Br)n1
InChIInChI=1S/C14H17BrN4/c1-10-7-12(8-16)18-14(17-10)19(2)9-11-5-3-4-6-13(11)15/h3-7H,8-9,16H2,1-2H3
InChIKeyGTWMAHHRBRUZJK-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.64
Rot. Bonds4

About 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine

4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine (PubChem CID 107541717) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine
PubChem CID107541717
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine
SMILESCc1cc(CN)nc(N(C)Cc2ccccc2Br)n1
InChIInChI=1S/C14H17BrN4/c1-10-7-12(8-16)18-14(17-10)19(2)9-11-5-3-4-6-13(11)15/h3-7H,8-9,16H2,1-2H3
InChIKeyGTWMAHHRBRUZJK-UHFFFAOYSA-N
XLogP2.64
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine (CID 107541717) is 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine is Cc1cc(CN)nc(N(C)Cc2ccccc2Br)n1.
What is the InChIKey of 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine?
The InChIKey is GTWMAHHRBRUZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-10-7-12(8-16)18-14(17-10)19(2)9-11-5-3-4-6-13(11)15/h3-7H,8-9,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine?
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine has a molecular weight of 321.22 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 107541717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).