N-[(1S,3R)-3-(dihydroxyphosphinothioyloxymethyl)cyclopentyl]pyrimidin-4-amine

C10H16N3O3PS — CID 142588335

IUPACN-[(1S,3R)-3-(dihydroxyphosphinothioyloxymethyl)cyclopentyl]pyrimidin-4-amine
SMILESOP(O)(=S)OC[C@@H]1CC[C@H](Nc2ccncn2)C1
InChIInChI=1S/C10H16N3O3PS/c14-17(15,18)16-6-8-1-2-9(5-8)13-10-3-4-11-7-12-10/h3-4,7-9H,1-2,5-6H2,(H,11,12,13)(H2,14,15,18)/t8-,9+/m1/s1
InChIKeyXESDDDYIFXUXLS-BDAKNGLRSA-N
MW289.30 g/mol
LogP1.28
Rot. Bonds5

About N-[(1S,3R)-3-(dihydroxyphosphinothioyloxymethyl)cyclopentyl]pyrimidin-4-amine

N-[(1S,3R)-3-(dihydroxyphosphinothioyloxymethyl)cyclopentyl]pyrimidin-4-amine (PubChem CID 142588335) has the molecular formula C10H16N3O3PS and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[(1S,3R)-3-(dihydroxyphosphinothioyloxymethyl)cyclopentyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S,3R)-3-(dihydroxyphosphinothioyloxymethyl)cyclopentyl]pyrimidin-4-amine
PubChem CID142588335
Molecular FormulaC10H16N3O3PS
Molecular Weight289.30 g/mol
Exact Mass289.06
IUPAC NameN-[(1S,3R)-3-(dihydroxyphosphinothioyloxymethyl)cyclopentyl]pyrimidin-4-amine
SMILESOP(O)(=S)OC[C@@H]1CC[C@H](Nc2ccncn2)C1
InChIInChI=1S/C10H16N3O3PS/c14-17(15,18)16-6-8-1-2-9(5-8)13-10-3-4-11-7-12-10/h3-4,7-9H,1-2,5-6H2,(H,11,12,13)(H2,14,15,18)/t8-,9+/m1/s1
InChIKeyXESDDDYIFXUXLS-BDAKNGLRSA-N
XLogP1.28
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.28
H-Bond Donors ≤ 53
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-[(1S,3R)-3-(dihydroxyphosphinothioyloxymethyl)cyclopentyl]pyrimidin-4-amine?
The IUPAC name of N-[(1S,3R)-3-(dihydroxyphosphinothioyloxymethyl)cyclopentyl]pyrimidin-4-amine (CID 142588335) is N-[(1S,3R)-3-(dihydroxyphosphinothioyloxymethyl)cyclopentyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S,3R)-3-(dihydroxyphosphinothioyloxymethyl)cyclopentyl]pyrimidin-4-amine?
The canonical SMILES for N-[(1S,3R)-3-(dihydroxyphosphinothioyloxymethyl)cyclopentyl]pyrimidin-4-amine is OP(O)(=S)OC[C@@H]1CC[C@H](Nc2ccncn2)C1.
What is the InChIKey of N-[(1S,3R)-3-(dihydroxyphosphinothioyloxymethyl)cyclopentyl]pyrimidin-4-amine?
The InChIKey is XESDDDYIFXUXLS-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H16N3O3PS/c14-17(15,18)16-6-8-1-2-9(5-8)13-10-3-4-11-7-12-10/h3-4,7-9H,1-2,5-6H2,(H,11,12,13)(H2,14,15,18)/t8-,9+/m1/s1.
What are the key properties of N-[(1S,3R)-3-(dihydroxyphosphinothioyloxymethyl)cyclopentyl]pyrimidin-4-amine?
N-[(1S,3R)-3-(dihydroxyphosphinothioyloxymethyl)cyclopentyl]pyrimidin-4-amine has a molecular weight of 289.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-(dihydroxyphosphinothioyloxymethyl)cyclopentyl]pyrimidin-4-amine is sourced from PubChem (CID 142588335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).