4-dimethoxyphosphinothioyloxy-N,N-diethyl-5-methylpyrimidin-2-amine

C11H20N3O3PS — CID 12873566

IUPAC4-dimethoxyphosphinothioyloxy-N,N-diethyl-5-methylpyrimidin-2-amine
SMILESCCN(CC)c1ncc(C)c(OP(=S)(OC)OC)n1
InChIInChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-8-9(3)10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3
InChIKeyWCHVXEBQZPJFHZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.53
Rot. Bonds7

About 4-dimethoxyphosphinothioyloxy-N,N-diethyl-5-methylpyrimidin-2-amine

4-dimethoxyphosphinothioyloxy-N,N-diethyl-5-methylpyrimidin-2-amine (PubChem CID 12873566) has the molecular formula C11H20N3O3PS and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-dimethoxyphosphinothioyloxy-N,N-diethyl-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-dimethoxyphosphinothioyloxy-N,N-diethyl-5-methylpyrimidin-2-amine
PubChem CID12873566
Molecular FormulaC11H20N3O3PS
Molecular Weight305.34 g/mol
Exact Mass305.10
IUPAC Name4-dimethoxyphosphinothioyloxy-N,N-diethyl-5-methylpyrimidin-2-amine
SMILESCCN(CC)c1ncc(C)c(OP(=S)(OC)OC)n1
InChIInChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-8-9(3)10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3
InChIKeyWCHVXEBQZPJFHZ-UHFFFAOYSA-N
XLogP2.53
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-dimethoxyphosphinothioyloxy-N,N-diethyl-5-methylpyrimidin-2-amine?
The IUPAC name of 4-dimethoxyphosphinothioyloxy-N,N-diethyl-5-methylpyrimidin-2-amine (CID 12873566) is 4-dimethoxyphosphinothioyloxy-N,N-diethyl-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-dimethoxyphosphinothioyloxy-N,N-diethyl-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-dimethoxyphosphinothioyloxy-N,N-diethyl-5-methylpyrimidin-2-amine is CCN(CC)c1ncc(C)c(OP(=S)(OC)OC)n1.
What is the InChIKey of 4-dimethoxyphosphinothioyloxy-N,N-diethyl-5-methylpyrimidin-2-amine?
The InChIKey is WCHVXEBQZPJFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-8-9(3)10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3.
What are the key properties of 4-dimethoxyphosphinothioyloxy-N,N-diethyl-5-methylpyrimidin-2-amine?
4-dimethoxyphosphinothioyloxy-N,N-diethyl-5-methylpyrimidin-2-amine has a molecular weight of 305.34 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethoxyphosphinothioyloxy-N,N-diethyl-5-methylpyrimidin-2-amine is sourced from PubChem (CID 12873566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).