5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine

C14H17BrN4 — CID 83185731

IUPAC5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
SMILESCc1nc(N(C)Cc2cccc(Br)c2)ncc1CN
InChIInChI=1S/C14H17BrN4/c1-10-12(7-16)8-17-14(18-10)19(2)9-11-4-3-5-13(15)6-11/h3-6,8H,7,9,16H2,1-2H3
InChIKeyQNJDRGLNNQKWRS-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.64
Rot. Bonds4

About 5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine

5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine (PubChem CID 83185731) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
PubChem CID83185731
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
SMILESCc1nc(N(C)Cc2cccc(Br)c2)ncc1CN
InChIInChI=1S/C14H17BrN4/c1-10-12(7-16)8-17-14(18-10)19(2)9-11-4-3-5-13(15)6-11/h3-6,8H,7,9,16H2,1-2H3
InChIKeyQNJDRGLNNQKWRS-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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Related Compounds

5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 83186045
2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 79173849
N-[(3-bromophenyl)methyl]-5-(chloromethyl)-N,2-dimethylpyrimidin-4-amine
CID 114215414
4-(aminomethyl)-N-[(3-bromophenyl)methyl]-2,3-difluoro-N-methylaniline
CID 107932774
2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 63081281
N-benzyl-6-bromo-N-methylquinazolin-2-amine
CID 165491586
5-[(3-bromophenyl)methyl-methylamino]pyridine-2-carbothioamide
CID 115488314
3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine
CID 113228946
N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine
CID 66465956
N-[(3-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62858843
[2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol
CID 62780698
[3-[[(3-bromophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 62893469

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine (CID 83185731) is 5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine is Cc1nc(N(C)Cc2cccc(Br)c2)ncc1CN.
What is the InChIKey of 5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine?
The InChIKey is QNJDRGLNNQKWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-10-12(7-16)8-17-14(18-10)19(2)9-11-4-3-5-13(15)6-11/h3-6,8H,7,9,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine?
5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-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 5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 83185731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).