5-[1,1-bis(phosphanyl)ethyl]pyrimidin-2-amine

C6H11N3P2 — CID 170391497

IUPAC5-[1,1-bis(phosphanyl)ethyl]pyrimidin-2-amine
SMILESCC(P)(P)c1cnc(N)nc1
InChIInChI=1S/C6H11N3P2/c1-6(10,11)4-2-8-5(7)9-3-4/h2-3H,10-11H2,1H3,(H2,7,8,9)
InChIKeyQQYYNAPAAKAHJY-UHFFFAOYSA-N
MW187.12 g/mol
LogP0.98
Rot. Bonds1

About 5-[1,1-bis(phosphanyl)ethyl]pyrimidin-2-amine

5-[1,1-bis(phosphanyl)ethyl]pyrimidin-2-amine (PubChem CID 170391497) has the molecular formula C6H11N3P2 and a molecular weight of 187.12 g/mol. Its IUPAC name is 5-[1,1-bis(phosphanyl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[1,1-bis(phosphanyl)ethyl]pyrimidin-2-amine
PubChem CID170391497
Molecular FormulaC6H11N3P2
Molecular Weight187.12 g/mol
Exact Mass187.04
IUPAC Name5-[1,1-bis(phosphanyl)ethyl]pyrimidin-2-amine
SMILESCC(P)(P)c1cnc(N)nc1
InChIInChI=1S/C6H11N3P2/c1-6(10,11)4-2-8-5(7)9-3-4/h2-3H,10-11H2,1H3,(H2,7,8,9)
InChIKeyQQYYNAPAAKAHJY-UHFFFAOYSA-N
XLogP0.98
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1,1-bis(phosphanyl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-[1,1-bis(phosphanyl)ethyl]pyrimidin-2-amine (CID 170391497) is 5-[1,1-bis(phosphanyl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[1,1-bis(phosphanyl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-[1,1-bis(phosphanyl)ethyl]pyrimidin-2-amine is CC(P)(P)c1cnc(N)nc1.
What is the InChIKey of 5-[1,1-bis(phosphanyl)ethyl]pyrimidin-2-amine?
The InChIKey is QQYYNAPAAKAHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3P2/c1-6(10,11)4-2-8-5(7)9-3-4/h2-3H,10-11H2,1H3,(H2,7,8,9).
What are the key properties of 5-[1,1-bis(phosphanyl)ethyl]pyrimidin-2-amine?
5-[1,1-bis(phosphanyl)ethyl]pyrimidin-2-amine has a molecular weight of 187.12 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,1-bis(phosphanyl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 170391497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).