N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine

C13H15BrClN3S — CID 80978253

IUPACN-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCc2sccc2Br)n1
InChIInChI=1S/C13H15BrClN3S/c1-3-4-11-17-12(15)8(2)13(18-11)16-7-10-9(14)5-6-19-10/h5-6H,3-4,7H2,1-2H3,(H,16,17,18)
InChIKeyBUKSUZINLTWQAU-UHFFFAOYSA-N
MW360.71 g/mol
LogP4.83
Rot. Bonds5

About N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine

N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80978253) has the molecular formula C13H15BrClN3S and a molecular weight of 360.71 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80978253
Molecular FormulaC13H15BrClN3S
Molecular Weight360.71 g/mol
Exact Mass358.99
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCc2sccc2Br)n1
InChIInChI=1S/C13H15BrClN3S/c1-3-4-11-17-12(15)8(2)13(18-11)16-7-10-9(14)5-6-19-10/h5-6H,3-4,7H2,1-2H3,(H,16,17,18)
InChIKeyBUKSUZINLTWQAU-UHFFFAOYSA-N
XLogP4.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.71
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80992880
6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 81007066
6-chloro-5-methyl-2-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80971140
6-chloro-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-propylpyrimidin-4-amine
CID 114126490
6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80979456
6-chloro-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-propylpyrimidin-4-amine
CID 114701542
6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine
CID 114957215
6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194545
4-N-[(3-bromothiophen-2-yl)methyl]-2-tert-butyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80992230
4-N-[(3-bromothiophen-2-yl)methyl]-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80992322
N-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine
CID 114051280
6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 79557730

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine (CID 80978253) is N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NCc2sccc2Br)n1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is BUKSUZINLTWQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3S/c1-3-4-11-17-12(15)8(2)13(18-11)16-7-10-9(14)5-6-19-10/h5-6H,3-4,7H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine?
N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 360.71 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80978253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).