2,6-bis(2-methylpropylsulfanyl)pyrimidine-4,5-diamine

C12H22N4S2 — CID 135397808

IUPAC2,6-bis(2-methylpropylsulfanyl)pyrimidine-4,5-diamine
SMILESCC(C)CSc1nc(N)c(N)c(SCC(C)C)n1
InChIInChI=1S/C12H22N4S2/c1-7(2)5-17-11-9(13)10(14)15-12(16-11)18-6-8(3)4/h7-8H,5-6,13H2,1-4H3,(H2,14,15,16)
InChIKeyLIKYXRSJQJWENW-UHFFFAOYSA-N
MW286.47 g/mol
LogP3.14
Rot. Bonds6

About 2,6-bis(2-methylpropylsulfanyl)pyrimidine-4,5-diamine

2,6-bis(2-methylpropylsulfanyl)pyrimidine-4,5-diamine (PubChem CID 135397808) has the molecular formula C12H22N4S2 and a molecular weight of 286.47 g/mol. Its IUPAC name is 2,6-bis(2-methylpropylsulfanyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2,6-bis(2-methylpropylsulfanyl)pyrimidine-4,5-diamine
PubChem CID135397808
Molecular FormulaC12H22N4S2
Molecular Weight286.47 g/mol
Exact Mass286.13
IUPAC Name2,6-bis(2-methylpropylsulfanyl)pyrimidine-4,5-diamine
SMILESCC(C)CSc1nc(N)c(N)c(SCC(C)C)n1
InChIInChI=1S/C12H22N4S2/c1-7(2)5-17-11-9(13)10(14)15-12(16-11)18-6-8(3)4/h7-8H,5-6,13H2,1-4H3,(H2,14,15,16)
InChIKeyLIKYXRSJQJWENW-UHFFFAOYSA-N
XLogP3.14
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-(dimethylamino)-
CID 3043316
7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-methylthio-
CID 216614
7H-Pyrimido(4,5-b)(1,4)thiazine, 2,4,6-triamino-
CID 3049965
2,6-Bis(methylsulfanyl)pyrimidine-4,5-diamine
CID 239954
6-(Methylsulfanyl)pyrimidine-2,4,5-triamine
CID 267696
Pyrimidine, 5-amino-2-methyl-4-methylamino-6-methylthio-
CID 86178802
2,6-Bis(propylthio)pyrimidine-4,5-diamine
CID 18924917
2,6-Bis(ethylthio)pyrimidine-4,5-diamine
CID 135397792
2,6-Bis(ethylthio)-7h-purin-8(9h)-one
CID 135397802
9-Ethyl-2,6-bis(ethylthio)-8,9-dihydro-7h-purine-8-thiol
CID 135397807
2,6-Bis(propylthio)-7h-purin-8(9h)-one
CID 135397809
2,6-Bis(isobutylthio)-7h-purin-8(9h)-one
CID 135397816

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-methylpropylsulfanyl)pyrimidine-4,5-diamine?
The IUPAC name of 2,6-bis(2-methylpropylsulfanyl)pyrimidine-4,5-diamine (CID 135397808) is 2,6-bis(2-methylpropylsulfanyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2,6-bis(2-methylpropylsulfanyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2,6-bis(2-methylpropylsulfanyl)pyrimidine-4,5-diamine is CC(C)CSc1nc(N)c(N)c(SCC(C)C)n1.
What is the InChIKey of 2,6-bis(2-methylpropylsulfanyl)pyrimidine-4,5-diamine?
The InChIKey is LIKYXRSJQJWENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S2/c1-7(2)5-17-11-9(13)10(14)15-12(16-11)18-6-8(3)4/h7-8H,5-6,13H2,1-4H3,(H2,14,15,16).
What are the key properties of 2,6-bis(2-methylpropylsulfanyl)pyrimidine-4,5-diamine?
2,6-bis(2-methylpropylsulfanyl)pyrimidine-4,5-diamine has a molecular weight of 286.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-methylpropylsulfanyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 135397808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).