ethane;N-methyl-2-phosphanylpyrido[4,3-d]pyrimidin-4-amine

C10H15N4P — CID 142126844

IUPACethane;N-methyl-2-phosphanylpyrido[4,3-d]pyrimidin-4-amine
SMILESCC.CNc1nc(P)nc2ccncc12
InChIInChI=1S/C8H9N4P.C2H6/c1-9-7-5-4-10-3-2-6(5)11-8(13)12-7;1-2/h2-4H,13H2,1H3,(H,9,11,12);1-2H3
InChIKeyTZCPKCWRWWQVGV-UHFFFAOYSA-N
MW222.23 g/mol
LogP1.59
Rot. Bonds1

About ethane;N-methyl-2-phosphanylpyrido[4,3-d]pyrimidin-4-amine

ethane;N-methyl-2-phosphanylpyrido[4,3-d]pyrimidin-4-amine (PubChem CID 142126844) has the molecular formula C10H15N4P and a molecular weight of 222.23 g/mol. Its IUPAC name is ethane;N-methyl-2-phosphanylpyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Nameethane;N-methyl-2-phosphanylpyrido[4,3-d]pyrimidin-4-amine
PubChem CID142126844
Molecular FormulaC10H15N4P
Molecular Weight222.23 g/mol
Exact Mass222.10
IUPAC Nameethane;N-methyl-2-phosphanylpyrido[4,3-d]pyrimidin-4-amine
SMILESCC.CNc1nc(P)nc2ccncc12
InChIInChI=1S/C8H9N4P.C2H6/c1-9-7-5-4-10-3-2-6(5)11-8(13)12-7;1-2/h2-4H,13H2,1H3,(H,9,11,12);1-2H3
InChIKeyTZCPKCWRWWQVGV-UHFFFAOYSA-N
XLogP1.59
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-phosphanylpyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of ethane;N-methyl-2-phosphanylpyrido[4,3-d]pyrimidin-4-amine (CID 142126844) is ethane;N-methyl-2-phosphanylpyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for ethane;N-methyl-2-phosphanylpyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for ethane;N-methyl-2-phosphanylpyrido[4,3-d]pyrimidin-4-amine is CC.CNc1nc(P)nc2ccncc12.
What is the InChIKey of ethane;N-methyl-2-phosphanylpyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is TZCPKCWRWWQVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N4P.C2H6/c1-9-7-5-4-10-3-2-6(5)11-8(13)12-7;1-2/h2-4H,13H2,1H3,(H,9,11,12);1-2H3.
What are the key properties of ethane;N-methyl-2-phosphanylpyrido[4,3-d]pyrimidin-4-amine?
ethane;N-methyl-2-phosphanylpyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 222.23 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-phosphanylpyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 142126844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).