4-amino-1-[(2R,3R,4S,5R)-5-[[amino(methoxy)phosphanyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one

C10H17N4O6P — CID 67679738

IUPAC4-amino-1-[(2R,3R,4S,5R)-5-[[amino(methoxy)phosphanyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
SMILESCOP(N)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H17N4O6P/c1-18-21(12)19-4-5-7(15)8(16)9(20-5)14-3-2-6(11)13-10(14)17/h2-3,5,7-9,15-16H,4,12H2,1H3,(H2,11,13,17)/t5-,7-,8-,9-,21?/m1/s1
InChIKeyYTTNCWWARYMEBH-PCCQLNMTSA-N
MW320.24 g/mol
LogP-1.71
Rot. Bonds5

About 4-amino-1-[(2R,3R,4S,5R)-5-[[amino(methoxy)phosphanyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,3R,4S,5R)-5-[[amino(methoxy)phosphanyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one (PubChem CID 67679738) has the molecular formula C10H17N4O6P and a molecular weight of 320.24 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4S,5R)-5-[[amino(methoxy)phosphanyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3R,4S,5R)-5-[[amino(methoxy)phosphanyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
PubChem CID67679738
Molecular FormulaC10H17N4O6P
Molecular Weight320.24 g/mol
Exact Mass320.09
IUPAC Name4-amino-1-[(2R,3R,4S,5R)-5-[[amino(methoxy)phosphanyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
SMILESCOP(N)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H17N4O6P/c1-18-21(12)19-4-5-7(15)8(16)9(20-5)14-3-2-6(11)13-10(14)17/h2-3,5,7-9,15-16H,4,12H2,1H3,(H2,11,13,17)/t5-,7-,8-,9-,21?/m1/s1
InChIKeyYTTNCWWARYMEBH-PCCQLNMTSA-N
XLogP-1.71
TPSA155.08 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid
CID 22885886
4-amino-1-[(4R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59721059
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 54100591
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl propyl sulfate
CID 175366058
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-methylphosphinic acid
CID 21115981
[(2R,3R,5R)-5-(4-(15N)azanyl-2-oxo(2,4,5,6-13C4,1,3-15N2)pyrimidin-1-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 169494410
[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-trihydroxyphosphanium
CID 176805301
[(4S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 171699509
[(2S,3R,4S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 124526324
[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 23276193
[(2R,3S,4R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonamidous acid
CID 70228913
D-Cytidine 5'-monophosphate disodium salt
CID 66820829

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R,4S,5R)-5-[[amino(methoxy)phosphanyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3R,4S,5R)-5-[[amino(methoxy)phosphanyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one (CID 67679738) is 4-amino-1-[(2R,3R,4S,5R)-5-[[amino(methoxy)phosphanyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3R,4S,5R)-5-[[amino(methoxy)phosphanyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3R,4S,5R)-5-[[amino(methoxy)phosphanyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one is COP(N)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.
What is the InChIKey of 4-amino-1-[(2R,3R,4S,5R)-5-[[amino(methoxy)phosphanyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one?
The InChIKey is YTTNCWWARYMEBH-PCCQLNMTSA-N. The full InChI is InChI=1S/C10H17N4O6P/c1-18-21(12)19-4-5-7(15)8(16)9(20-5)14-3-2-6(11)13-10(14)17/h2-3,5,7-9,15-16H,4,12H2,1H3,(H2,11,13,17)/t5-,7-,8-,9-,21?/m1/s1.
What are the key properties of 4-amino-1-[(2R,3R,4S,5R)-5-[[amino(methoxy)phosphanyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,3R,4S,5R)-5-[[amino(methoxy)phosphanyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one has a molecular weight of 320.24 g/mol, XLogP of -1.71, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3R,4S,5R)-5-[[amino(methoxy)phosphanyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 67679738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).