6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine

C11H20N4OS — CID 113480698

IUPAC6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCCS(C)=O)n1
InChIInChI=1S/C11H20N4OS/c1-4-5-13-11-14-9(2)8-10(15-11)12-6-7-17(3)16/h8H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyRTXGPJTXJBQWAK-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.40
Rot. Bonds7

About 6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine

6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 113480698) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID113480698
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCCS(C)=O)n1
InChIInChI=1S/C11H20N4OS/c1-4-5-13-11-14-9(2)8-10(15-11)12-6-7-17(3)16/h8H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyRTXGPJTXJBQWAK-UHFFFAOYSA-N
XLogP1.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine
CID 115631573
2-methylsulfanyl-4-N-(2-methylsulfinylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 113480695
3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819138
6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile
CID 107545228
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80814000
4-N-(3-methylsulfinylpropyl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565866
4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777022
4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80814127
N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80784037
4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80790337
6-methyl-2-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine
CID 106433956

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine (CID 113480698) is 6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(NCCS(C)=O)n1.
What is the InChIKey of 6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is RTXGPJTXJBQWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-4-5-13-11-14-9(2)8-10(15-11)12-6-7-17(3)16/h8H,4-7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine?
6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 256.37 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 113480698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).