N,N-diethyl-4,6-dimethylpyrimidin-2-amine;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

C15H37N3O6P2S2 — CID 173412353

IUPACN,N-diethyl-4,6-dimethylpyrimidin-2-amine;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCC.CCC.CCN(CC)c1nc(C)cc(C)n1.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C10H17N3.C3H8.C2H6.2H3O3PS/c1-5-13(6-2)10-11-8(3)7-9(4)12-10;1-3-2;1-2;2*1-4(2,3)5/h7H,5-6H2,1-4H3;3H2,1-2H3;1-2H3;2*(H3,1,2,3,5)
InChIKeyNIOPRTANIXOYLX-UHFFFAOYSA-N
MW481.56 g/mol
LogP2.76
Rot. Bonds3

About N,N-diethyl-4,6-dimethylpyrimidin-2-amine;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

N,N-diethyl-4,6-dimethylpyrimidin-2-amine;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 173412353) has the molecular formula C15H37N3O6P2S2 and a molecular weight of 481.56 g/mol. Its IUPAC name is N,N-diethyl-4,6-dimethylpyrimidin-2-amine;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound NameN,N-diethyl-4,6-dimethylpyrimidin-2-amine;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID173412353
Molecular FormulaC15H37N3O6P2S2
Molecular Weight481.56 g/mol
Exact Mass481.16
IUPAC NameN,N-diethyl-4,6-dimethylpyrimidin-2-amine;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCC.CCC.CCN(CC)c1nc(C)cc(C)n1.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C10H17N3.C3H8.C2H6.2H3O3PS/c1-5-13(6-2)10-11-8(3)7-9(4)12-10;1-3-2;1-2;2*1-4(2,3)5/h7H,5-6H2,1-4H3;3H2,1-2H3;1-2H3;2*(H3,1,2,3,5)
InChIKeyNIOPRTANIXOYLX-UHFFFAOYSA-N
XLogP2.76
TPSA150.40 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.56
LogP ≤ 52.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,6-dimethylpyrimidin-2-amine;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of N,N-diethyl-4,6-dimethylpyrimidin-2-amine;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 173412353) is N,N-diethyl-4,6-dimethylpyrimidin-2-amine;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for N,N-diethyl-4,6-dimethylpyrimidin-2-amine;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for N,N-diethyl-4,6-dimethylpyrimidin-2-amine;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is CC.CCC.CCN(CC)c1nc(C)cc(C)n1.OP(O)(O)=S.OP(O)(O)=S.
What is the InChIKey of N,N-diethyl-4,6-dimethylpyrimidin-2-amine;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is NIOPRTANIXOYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.C3H8.C2H6.2H3O3PS/c1-5-13(6-2)10-11-8(3)7-9(4)12-10;1-3-2;1-2;2*1-4(2,3)5/h7H,5-6H2,1-4H3;3H2,1-2H3;1-2H3;2*(H3,1,2,3,5).
What are the key properties of N,N-diethyl-4,6-dimethylpyrimidin-2-amine;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
N,N-diethyl-4,6-dimethylpyrimidin-2-amine;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 481.56 g/mol, XLogP of 2.76, 3 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,6-dimethylpyrimidin-2-amine;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 173412353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).