2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine

C14H17BrN4 — CID 80657866

IUPAC2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CN(C)Cc2ccc(Br)cc2)n1
InChIInChI=1S/C14H17BrN4/c1-10-7-13(16)18-14(17-10)9-19(2)8-11-3-5-12(15)6-4-11/h3-7H,8-9H2,1-2H3,(H2,16,17,18)
InChIKeyGBXZNZIXHPQSMC-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.76
Rot. Bonds4

About 2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine

2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine (PubChem CID 80657866) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine
PubChem CID80657866
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CN(C)Cc2ccc(Br)cc2)n1
InChIInChI=1S/C14H17BrN4/c1-10-7-13(16)18-14(17-10)9-19(2)8-11-3-5-12(15)6-4-11/h3-7H,8-9H2,1-2H3,(H2,16,17,18)
InChIKeyGBXZNZIXHPQSMC-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine
CID 80656876
4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112726058
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
CID 80664458
6-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrimidin-4-amine
CID 80657267
6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8793303
2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine
CID 80657248
2-[(4-amino-6-methylpyrimidin-2-yl)methyl-methylamino]propan-1-ol
CID 104554411
2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine
CID 80656838
5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79772146
5-N-[(4-bromophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361896
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785
1-(4-bromophenyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine
CID 62246114

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine (CID 80657866) is 2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(CN(C)Cc2ccc(Br)cc2)n1.
What is the InChIKey of 2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine?
The InChIKey is GBXZNZIXHPQSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-10-7-13(16)18-14(17-10)9-19(2)8-11-3-5-12(15)6-4-11/h3-7H,8-9H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine?
2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine has a molecular weight of 321.22 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80657866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).