CID 174042248

C11H13ClN3O3Si — CID 174042248

IUPAC—
SMILESCCOC(=O)c1cnc(Cl)nc1N[C@@]1([Si])CCOC1
InChIInChI=1S/C11H13ClN3O3Si/c1-2-18-9(16)7-5-13-10(12)14-8(7)15-11(19)3-4-17-6-11/h5H,2-4,6H2,1H3,(H,13,14,15)/t11-/m1/s1
InChIKeyIIWXIXXVLKMZDH-LLVKDONJSA-N
MW298.78 g/mol
LogP1.00
Rot. Bonds4

About CID 174042248

CID 174042248 (PubChem CID 174042248) has the molecular formula C11H13ClN3O3Si and a molecular weight of 298.78 g/mol.

Molecular Properties

Compound NameCID 174042248
PubChem CID174042248
Molecular FormulaC11H13ClN3O3Si
Molecular Weight298.78 g/mol
Exact Mass298.04
IUPAC Name—
SMILESCCOC(=O)c1cnc(Cl)nc1N[C@@]1([Si])CCOC1
InChIInChI=1S/C11H13ClN3O3Si/c1-2-18-9(16)7-5-13-10(12)14-8(7)15-11(19)3-4-17-6-11/h5H,2-4,6H2,1H3,(H,13,14,15)/t11-/m1/s1
InChIKeyIIWXIXXVLKMZDH-LLVKDONJSA-N
XLogP1.00
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-chloro-4-[(4-cyano-1-bicyclo[2.2.2]octanyl)amino]pyrimidine-5-carboxylate
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ethyl 2-chloro-4-[(2-hydroxyspiro[3.3]heptan-6-yl)amino]pyrimidine-5-carboxylate
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ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate
CID 135151263
ethyl 2-chloro-4-[(3-hydroxycyclobutyl)amino]pyrimidine-5-carboxylate
CID 156572666
ethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate
CID 114090606
ethyl 2-chloro-4-(3-hydroxyanilino)pyrimidine-5-carboxylate
CID 22061051
ethyl 2-chloro-4-[(3-hydroxy-8-bicyclo[3.2.1]octanyl)amino]pyrimidine-5-carboxylate
CID 156776364
ethyl 4-[(2,5-dichloropyrimidin-4-yl)amino]thiophene-3-carboxylate
CID 170553588
ethyl 2-chloro-4-[[(1S)-1-cyclohexyl-2-hydroxyethyl]amino]pyrimidine-5-carboxylate
CID 167516579
ethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate
CID 118685052
(2S)-2-[(2-chloro-5-ethoxycarbonylpyrimidin-4-yl)amino]-3-phenylpropanoic acid
CID 90837125
ethyl 2-[(3-methoxyoxolan-3-yl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 104705516

Frequently Asked Questions

What is the IUPAC name of CID 174042248?
The IUPAC name of CID 174042248 (CID 174042248) is not available.
What is the SMILES notation for CID 174042248?
The canonical SMILES for CID 174042248 is CCOC(=O)c1cnc(Cl)nc1N[C@@]1([Si])CCOC1.
What is the InChIKey of CID 174042248?
The InChIKey is IIWXIXXVLKMZDH-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13ClN3O3Si/c1-2-18-9(16)7-5-13-10(12)14-8(7)15-11(19)3-4-17-6-11/h5H,2-4,6H2,1H3,(H,13,14,15)/t11-/m1/s1.
What are the key properties of CID 174042248?
CID 174042248 has a molecular weight of 298.78 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174042248 is sourced from PubChem (CID 174042248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).