3-[amino(1,5-naphthyridin-2-ylmethyl)amino]-5-(4-methylphosphanyl-2-phosphanylphenyl)pyrazin-2-amine

C20H21N7P2 — CID 175622019

IUPAC3-[amino(1,5-naphthyridin-2-ylmethyl)amino]-5-(4-methylphosphanyl-2-phosphanylphenyl)pyrazin-2-amine
SMILESCPc1ccc(-c2cnc(N)c(N(N)Cc3ccc4ncccc4n3)n2)c(P)c1
InChIInChI=1S/C20H21N7P2/c1-29-13-5-6-14(18(28)9-13)17-10-24-19(21)20(26-17)27(22)11-12-4-7-15-16(25-12)3-2-8-23-15/h2-10,29H,11,22,28H2,1H3,(H2,21,24)
InChIKeyXFRUFAWPDXQZFO-UHFFFAOYSA-N
MW421.39 g/mol
LogP1.98
Rot. Bonds5

About 3-[amino(1,5-naphthyridin-2-ylmethyl)amino]-5-(4-methylphosphanyl-2-phosphanylphenyl)pyrazin-2-amine

3-[amino(1,5-naphthyridin-2-ylmethyl)amino]-5-(4-methylphosphanyl-2-phosphanylphenyl)pyrazin-2-amine (PubChem CID 175622019) has the molecular formula C20H21N7P2 and a molecular weight of 421.39 g/mol. Its IUPAC name is 3-[amino(1,5-naphthyridin-2-ylmethyl)amino]-5-(4-methylphosphanyl-2-phosphanylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[amino(1,5-naphthyridin-2-ylmethyl)amino]-5-(4-methylphosphanyl-2-phosphanylphenyl)pyrazin-2-amine
PubChem CID175622019
Molecular FormulaC20H21N7P2
Molecular Weight421.39 g/mol
Exact Mass421.13
IUPAC Name3-[amino(1,5-naphthyridin-2-ylmethyl)amino]-5-(4-methylphosphanyl-2-phosphanylphenyl)pyrazin-2-amine
SMILESCPc1ccc(-c2cnc(N)c(N(N)Cc3ccc4ncccc4n3)n2)c(P)c1
InChIInChI=1S/C20H21N7P2/c1-29-13-5-6-14(18(28)9-13)17-10-24-19(21)20(26-17)27(22)11-12-4-7-15-16(25-12)3-2-8-23-15/h2-10,29H,11,22,28H2,1H3,(H2,21,24)
InChIKeyXFRUFAWPDXQZFO-UHFFFAOYSA-N
XLogP1.98
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(1,5-naphthyridin-2-ylmethyl)amino]-5-(4-methylphosphanyl-2-phosphanylphenyl)pyrazin-2-amine?
The IUPAC name of 3-[amino(1,5-naphthyridin-2-ylmethyl)amino]-5-(4-methylphosphanyl-2-phosphanylphenyl)pyrazin-2-amine (CID 175622019) is 3-[amino(1,5-naphthyridin-2-ylmethyl)amino]-5-(4-methylphosphanyl-2-phosphanylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-[amino(1,5-naphthyridin-2-ylmethyl)amino]-5-(4-methylphosphanyl-2-phosphanylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-[amino(1,5-naphthyridin-2-ylmethyl)amino]-5-(4-methylphosphanyl-2-phosphanylphenyl)pyrazin-2-amine is CPc1ccc(-c2cnc(N)c(N(N)Cc3ccc4ncccc4n3)n2)c(P)c1.
What is the InChIKey of 3-[amino(1,5-naphthyridin-2-ylmethyl)amino]-5-(4-methylphosphanyl-2-phosphanylphenyl)pyrazin-2-amine?
The InChIKey is XFRUFAWPDXQZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7P2/c1-29-13-5-6-14(18(28)9-13)17-10-24-19(21)20(26-17)27(22)11-12-4-7-15-16(25-12)3-2-8-23-15/h2-10,29H,11,22,28H2,1H3,(H2,21,24).
What are the key properties of 3-[amino(1,5-naphthyridin-2-ylmethyl)amino]-5-(4-methylphosphanyl-2-phosphanylphenyl)pyrazin-2-amine?
3-[amino(1,5-naphthyridin-2-ylmethyl)amino]-5-(4-methylphosphanyl-2-phosphanylphenyl)pyrazin-2-amine has a molecular weight of 421.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(1,5-naphthyridin-2-ylmethyl)amino]-5-(4-methylphosphanyl-2-phosphanylphenyl)pyrazin-2-amine is sourced from PubChem (CID 175622019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).