2,5-dimethyl-4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine

C15H26N4S — CID 80853489

IUPAC2,5-dimethyl-4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCC2(C)CCCS2)c1C
InChIInChI=1S/C15H26N4S/c1-5-8-16-13-11(2)14(19-12(3)18-13)17-10-15(4)7-6-9-20-15/h5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyVATZAGLVFFACFH-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.61
Rot. Bonds6

About 2,5-dimethyl-4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine

2,5-dimethyl-4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80853489) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80853489
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name2,5-dimethyl-4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCC2(C)CCCS2)c1C
InChIInChI=1S/C15H26N4S/c1-5-8-16-13-11(2)14(19-12(3)18-13)17-10-15(4)7-6-9-20-15/h5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyVATZAGLVFFACFH-UHFFFAOYSA-N
XLogP3.61
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80852928
3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine
CID 80725115
6-N-[(2-methylthiolan-2-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine
CID 114785722
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669
4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80790570
2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 106327505
5-bromo-6-N-ethyl-4-N-[(2-methylthiolan-2-yl)methyl]pyrimidine-4,6-diamine
CID 114072574
6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 83025046
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
N-[(2-methylthiolan-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106963576
2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103322179
2-N-[(2-methylthiolan-2-yl)methyl]pyrazine-2,6-diamine
CID 80527980

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine (CID 80853489) is 2,5-dimethyl-4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C)nc(NCC2(C)CCCS2)c1C.
What is the InChIKey of 2,5-dimethyl-4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is VATZAGLVFFACFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-5-8-16-13-11(2)14(19-12(3)18-13)17-10-15(4)7-6-9-20-15/h5-10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2,5-dimethyl-4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
2,5-dimethyl-4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 294.47 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80853489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).