6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine

C12H20ClN3OS — CID 115715788

IUPAC6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCC(C)S(C)=O)n1
InChIInChI=1S/C12H20ClN3OS/c1-5-10-15-11(13)9(3)12(16-10)14-7-6-8(2)18(4)17/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyHITMZAQRFVLNQJ-UHFFFAOYSA-N
MW289.83 g/mol
LogP2.57
Rot. Bonds6

About 6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine

6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine (PubChem CID 115715788) has the molecular formula C12H20ClN3OS and a molecular weight of 289.83 g/mol. Its IUPAC name is 6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine
PubChem CID115715788
Molecular FormulaC12H20ClN3OS
Molecular Weight289.83 g/mol
Exact Mass289.10
IUPAC Name6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCC(C)S(C)=O)n1
InChIInChI=1S/C12H20ClN3OS/c1-5-10-15-11(13)9(3)12(16-10)14-7-6-8(2)18(4)17/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyHITMZAQRFVLNQJ-UHFFFAOYSA-N
XLogP2.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-ethyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576944
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine
CID 113490924
6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 133381990
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341566
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 79556195
6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine
CID 79557700
2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine
CID 114043968
6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine
CID 103724872
6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 79238156
tert-butyl N-[2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]carbamate
CID 115674145
6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80717013

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine (CID 115715788) is 6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine is CCc1nc(Cl)c(C)c(NCCC(C)S(C)=O)n1.
What is the InChIKey of 6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine?
The InChIKey is HITMZAQRFVLNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3OS/c1-5-10-15-11(13)9(3)12(16-10)14-7-6-8(2)18(4)17/h8H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine?
6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine has a molecular weight of 289.83 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 115715788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).