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

C10H18N4S2 — CID 18924917

IUPAC2,6-bis(propylsulfanyl)pyrimidine-4,5-diamine
SMILESCCCSc1nc(N)c(N)c(SCCC)n1
InChIInChI=1S/C10H18N4S2/c1-3-5-15-9-7(11)8(12)13-10(14-9)16-6-4-2/h3-6,11H2,1-2H3,(H2,12,13,14)
InChIKeySODVEDDQLXKHHZ-UHFFFAOYSA-N
MW258.42 g/mol
LogP2.65
Rot. Bonds6

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

2,6-bis(propylsulfanyl)pyrimidine-4,5-diamine (PubChem CID 18924917) has the molecular formula C10H18N4S2 and a molecular weight of 258.42 g/mol. Its IUPAC name is 2,6-bis(propylsulfanyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2,6-bis(propylsulfanyl)pyrimidine-4,5-diamine
PubChem CID18924917
Molecular FormulaC10H18N4S2
Molecular Weight258.42 g/mol
Exact Mass258.10
IUPAC Name2,6-bis(propylsulfanyl)pyrimidine-4,5-diamine
SMILESCCCSc1nc(N)c(N)c(SCCC)n1
InChIInChI=1S/C10H18N4S2/c1-3-5-15-9-7(11)8(12)13-10(14-9)16-6-4-2/h3-6,11H2,1-2H3,(H2,12,13,14)
InChIKeySODVEDDQLXKHHZ-UHFFFAOYSA-N
XLogP2.65
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.42
LogP ≤ 52.65
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
4,5,6-Triamino-2-(methylsulfanyl)pyrimidine
CID 229266
7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-methylthio-
CID 216614
7H-Pyrimido(4,5-b)(1,4)thiazine, 4,6-diamino-
CID 3043314
7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-methylamino-
CID 3043315
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
6-Chloro-2-propylsulfanylpyrimidine-4,5-diamine
CID 89094226
2-(3,3,3-Trifluoropropylsulfanyl)pyrimidine-4,5,6-triamine
CID 141513058
2,6-Bis(ethylthio)pyrimidine-4,5-diamine
CID 135397792

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(propylsulfanyl)pyrimidine-4,5-diamine?
The IUPAC name of 2,6-bis(propylsulfanyl)pyrimidine-4,5-diamine (CID 18924917) is 2,6-bis(propylsulfanyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2,6-bis(propylsulfanyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2,6-bis(propylsulfanyl)pyrimidine-4,5-diamine is CCCSc1nc(N)c(N)c(SCCC)n1.
What is the InChIKey of 2,6-bis(propylsulfanyl)pyrimidine-4,5-diamine?
The InChIKey is SODVEDDQLXKHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S2/c1-3-5-15-9-7(11)8(12)13-10(14-9)16-6-4-2/h3-6,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 2,6-bis(propylsulfanyl)pyrimidine-4,5-diamine?
2,6-bis(propylsulfanyl)pyrimidine-4,5-diamine has a molecular weight of 258.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(propylsulfanyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 18924917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).