N-[(4-bromophenyl)methyl]-6-chloro-2-ethyl-N-methylpyrimidin-4-amine

C14H15BrClN3 — CID 80935805

IUPACN-[(4-bromophenyl)methyl]-6-chloro-2-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(N(C)Cc2ccc(Br)cc2)n1
InChIInChI=1S/C14H15BrClN3/c1-3-13-17-12(16)8-14(18-13)19(2)9-10-4-6-11(15)7-5-10/h4-8H,3,9H2,1-2H3
InChIKeyZBMKANNKDCCTOK-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.09
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-6-chloro-2-ethyl-N-methylpyrimidin-4-amine

N-[(4-bromophenyl)methyl]-6-chloro-2-ethyl-N-methylpyrimidin-4-amine (PubChem CID 80935805) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-6-chloro-2-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-6-chloro-2-ethyl-N-methylpyrimidin-4-amine
PubChem CID80935805
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC NameN-[(4-bromophenyl)methyl]-6-chloro-2-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(N(C)Cc2ccc(Br)cc2)n1
InChIInChI=1S/C14H15BrClN3/c1-3-13-17-12(16)8-14(18-13)19(2)9-10-4-6-11(15)7-5-10/h4-8H,3,9H2,1-2H3
InChIKeyZBMKANNKDCCTOK-UHFFFAOYSA-N
XLogP4.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 80936080
6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936276
3-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80943703
2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 80934212
4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112726058
6-chloro-4-N-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 31537685
N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine
CID 66231617
2-N-[(4-bromophenyl)methyl]-6-chloro-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80794390
6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 31537715
N-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62858842
N-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline
CID 63540991
2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80935631

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-6-chloro-2-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-6-chloro-2-ethyl-N-methylpyrimidin-4-amine (CID 80935805) is N-[(4-bromophenyl)methyl]-6-chloro-2-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-6-chloro-2-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-6-chloro-2-ethyl-N-methylpyrimidin-4-amine is CCc1nc(Cl)cc(N(C)Cc2ccc(Br)cc2)n1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-6-chloro-2-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is ZBMKANNKDCCTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-3-13-17-12(16)8-14(18-13)19(2)9-10-4-6-11(15)7-5-10/h4-8H,3,9H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-6-chloro-2-ethyl-N-methylpyrimidin-4-amine?
N-[(4-bromophenyl)methyl]-6-chloro-2-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 340.65 g/mol, XLogP of 4.09, 4 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-2-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80935805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).