4-[[3-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one;phosphonous acid

C10H18N3O4P — CID 142588346

IUPAC4-[[3-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one;phosphonous acid
SMILESO=c1cc(NC2CCC(CO)C2)nc[nH]1.OPO
InChIInChI=1S/C10H15N3O2.H3O2P/c14-5-7-1-2-8(3-7)13-9-4-10(15)12-6-11-9;1-3-2/h4,6-8,14H,1-3,5H2,(H2,11,12,13,15);1-3H
InChIKeyXIBOEMKSVSAONS-UHFFFAOYSA-N
MW275.24 g/mol
LogP-0.18
Rot. Bonds3

About 4-[[3-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one;phosphonous acid

4-[[3-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one;phosphonous acid (PubChem CID 142588346) has the molecular formula C10H18N3O4P and a molecular weight of 275.24 g/mol. Its IUPAC name is 4-[[3-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one;phosphonous acid.

Molecular Properties

Compound Name4-[[3-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one;phosphonous acid
PubChem CID142588346
Molecular FormulaC10H18N3O4P
Molecular Weight275.24 g/mol
Exact Mass275.10
IUPAC Name4-[[3-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one;phosphonous acid
SMILESO=c1cc(NC2CCC(CO)C2)nc[nH]1.OPO
InChIInChI=1S/C10H15N3O2.H3O2P/c14-5-7-1-2-8(3-7)13-9-4-10(15)12-6-11-9;1-3-2/h4,6-8,14H,1-3,5H2,(H2,11,12,13,15);1-3H
InChIKeyXIBOEMKSVSAONS-UHFFFAOYSA-N
XLogP-0.18
TPSA118.47 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 142588347
hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]oxy-oxophosphanium
CID 156466845
4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746827

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one;phosphonous acid?
The IUPAC name of 4-[[3-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one;phosphonous acid (CID 142588346) is 4-[[3-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one;phosphonous acid.
What is the SMILES notation for 4-[[3-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one;phosphonous acid?
The canonical SMILES for 4-[[3-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one;phosphonous acid is O=c1cc(NC2CCC(CO)C2)nc[nH]1.OPO.
What is the InChIKey of 4-[[3-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one;phosphonous acid?
The InChIKey is XIBOEMKSVSAONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.H3O2P/c14-5-7-1-2-8(3-7)13-9-4-10(15)12-6-11-9;1-3-2/h4,6-8,14H,1-3,5H2,(H2,11,12,13,15);1-3H.
What are the key properties of 4-[[3-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one;phosphonous acid?
4-[[3-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one;phosphonous acid has a molecular weight of 275.24 g/mol, XLogP of -0.18, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one;phosphonous acid is sourced from PubChem (CID 142588346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).