CID 10743429

C18H24N3O5 — CID 10743429

IUPAC—
SMILESNc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OCCCC[C]2[CH][CH][CH][CH]2)c(=O)n1
InChIInChI=1S/C18H24N3O5/c19-14-8-9-21(18(24)20-14)17-16(15(23)13(11-22)26-17)25-10-4-3-7-12-5-1-2-6-12/h1-2,5-6,8-9,13,15-17,22-23H,3-4,7,10-11H2,(H2,19,20,24)/t13-,15-,16-,17-/m1/s1
InChIKeyCFABNKBHBSMNEF-MWQQHZPXSA-N
MW362.41 g/mol
LogP0.04
Rot. Bonds8

About CID 10743429

CID 10743429 (PubChem CID 10743429) has the molecular formula C18H24N3O5 and a molecular weight of 362.41 g/mol.

Molecular Properties

Compound NameCID 10743429
PubChem CID10743429
Molecular FormulaC18H24N3O5
Molecular Weight362.41 g/mol
Exact Mass362.17
IUPAC Name—
SMILESNc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OCCCC[C]2[CH][CH][CH][CH]2)c(=O)n1
InChIInChI=1S/C18H24N3O5/c19-14-8-9-21(18(24)20-14)17-16(15(23)13(11-22)26-17)25-10-4-3-7-12-5-1-2-6-12/h1-2,5-6,8-9,13,15-17,22-23H,3-4,7,10-11H2,(H2,19,20,24)/t13-,15-,16-,17-/m1/s1
InChIKeyCFABNKBHBSMNEF-MWQQHZPXSA-N
XLogP0.04
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 57300571
4-amino-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67175693
4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(methylsulfanylmethoxy)oxolan-2-yl]pyrimidin-2-one
CID 54164899
CID 10816251
CID 10816251
4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
4-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 3013211
4-amino-1-[(4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71230474
4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10848727
[(3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 53481031
4-amino-1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 23615336
4-amino-1-[3-[ethyl(dimethyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10404320
[(2R,3S,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 2-aminoacetate
CID 66718959

Frequently Asked Questions

What is the IUPAC name of CID 10743429?
The IUPAC name of CID 10743429 (CID 10743429) is not available.
What is the SMILES notation for CID 10743429?
The canonical SMILES for CID 10743429 is Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OCCCC[C]2[CH][CH][CH][CH]2)c(=O)n1.
What is the InChIKey of CID 10743429?
The InChIKey is CFABNKBHBSMNEF-MWQQHZPXSA-N. The full InChI is InChI=1S/C18H24N3O5/c19-14-8-9-21(18(24)20-14)17-16(15(23)13(11-22)26-17)25-10-4-3-7-12-5-1-2-6-12/h1-2,5-6,8-9,13,15-17,22-23H,3-4,7,10-11H2,(H2,19,20,24)/t13-,15-,16-,17-/m1/s1.
What are the key properties of CID 10743429?
CID 10743429 has a molecular weight of 362.41 g/mol, XLogP of 0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10743429 is sourced from PubChem (CID 10743429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).