N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine

C15H17BrClN3 — CID 63729447

IUPACN-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H17BrClN3/c1-3-4-13-14(17)18-10-19-15(13)20(2)9-11-5-7-12(16)8-6-11/h5-8,10H,3-4,9H2,1-2H3
InChIKeyFUYQTCVRZVQMOF-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.48
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine

N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine (PubChem CID 63729447) has the molecular formula C15H17BrClN3 and a molecular weight of 354.68 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine
PubChem CID63729447
Molecular FormulaC15H17BrClN3
Molecular Weight354.68 g/mol
Exact Mass353.03
IUPAC NameN-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H17BrClN3/c1-3-4-13-14(17)18-10-19-15(13)20(2)9-11-5-7-12(16)8-6-11/h5-8,10H,3-4,9H2,1-2H3
InChIKeyFUYQTCVRZVQMOF-UHFFFAOYSA-N
XLogP4.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine
CID 63735238
N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine
CID 63735417
4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80793896
6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine
CID 63728101
N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63736451
6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63730106
N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80899566
N-[(4-bromophenyl)methyl]-6-chloro-N,4,5-trimethylpyridazin-3-amine
CID 63272064
6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine
CID 63735945
N-[(4-bromophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine
CID 66340839
6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine
CID 63727953
2-[(6-chloro-5-propylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 63735069

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine (CID 63729447) is N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine?
The InChIKey is FUYQTCVRZVQMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3/c1-3-4-13-14(17)18-10-19-15(13)20(2)9-11-5-7-12(16)8-6-11/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine?
N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine has a molecular weight of 354.68 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63729447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).