5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine

C12H18BrN3S — CID 66302144

IUPAC5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CSC)nc(C2CC2)c1Br
InChIInChI=1S/C12H18BrN3S/c1-3-6-14-12-10(13)11(8-4-5-8)15-9(16-12)7-17-2/h8H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyVGMUNFNGCIYCRX-UHFFFAOYSA-N
MW316.27 g/mol
LogP3.80
Rot. Bonds6

About 5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine

5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine (PubChem CID 66302144) has the molecular formula C12H18BrN3S and a molecular weight of 316.27 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine
PubChem CID66302144
Molecular FormulaC12H18BrN3S
Molecular Weight316.27 g/mol
Exact Mass315.04
IUPAC Name5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CSC)nc(C2CC2)c1Br
InChIInChI=1S/C12H18BrN3S/c1-3-6-14-12-10(13)11(8-4-5-8)15-9(16-12)7-17-2/h8H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyVGMUNFNGCIYCRX-UHFFFAOYSA-N
XLogP3.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine
CID 66304186
5-bromo-2-(methylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299727
5-bromo-6-cyclopropyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine
CID 66304188
5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine
CID 103150464
5-bromo-6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
CID 116777193
5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 66304180
5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 66302752
5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 102844082
5-bromo-6-cyclopropyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66303575
5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 66300830
5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66305569
5-bromo-6-cyclopropyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66304381

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine (CID 66302144) is 5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine is CCCNc1nc(CSC)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine?
The InChIKey is VGMUNFNGCIYCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3S/c1-3-6-14-12-10(13)11(8-4-5-8)15-9(16-12)7-17-2/h8H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine has a molecular weight of 316.27 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66302144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).