[2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone

C8H10ClN3OSi — CID 162245679

IUPAC[2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone
SMILESO=C([SiH3])c1cnc(Cl)nc1NC1CC1
InChIInChI=1S/C8H10ClN3OSi/c9-8-10-3-5(7(13)14)6(12-8)11-4-1-2-4/h3-4H,1-2H2,14H3,(H,10,11,12)
InChIKeyZXHLEZBUFUALLI-UHFFFAOYSA-N
MW227.73 g/mol
LogP0.21
Rot. Bonds3

About [2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone

[2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone (PubChem CID 162245679) has the molecular formula C8H10ClN3OSi and a molecular weight of 227.73 g/mol. Its IUPAC name is [2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone.

Molecular Properties

Compound Name[2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone
PubChem CID162245679
Molecular FormulaC8H10ClN3OSi
Molecular Weight227.73 g/mol
Exact Mass227.03
IUPAC Name[2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone
SMILESO=C([SiH3])c1cnc(Cl)nc1NC1CC1
InChIInChI=1S/C8H10ClN3OSi/c9-8-10-3-5(7(13)14)6(12-8)11-4-1-2-4/h3-4H,1-2H2,14H3,(H,10,11,12)
InChIKeyZXHLEZBUFUALLI-UHFFFAOYSA-N
XLogP0.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid
CID 89127830
methyl 2-chloro-4-(cyclobutylamino)pyrimidine-5-carboxylate
CID 135200676
ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate
CID 135151263
[4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid
CID 141129534
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 106193759
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
2-chloro-N-cyclopropyl-5-(difluoromethyl)pyrimidin-4-amine
CID 169118139
[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexyl] carbamate
CID 175010663
4-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 21081058
2-chloro-4-(cyclopropylamino)pyrimidine-5-carboxylic acid;cyclopropanamine;2,4-dichloropyrimidine-5-carboxylic acid;N-ethyl-N-propan-2-ylpropan-2-amine
CID 158603759
2-chloro-4-[[6-(hydroxymethyl)spiro[3.3]heptan-2-yl]amino]pyrimidine-5-carboxylic acid
CID 156776378
ethyl 2-chloro-4-[(3-hydroxycyclobutyl)amino]pyrimidine-5-carboxylate
CID 156572666

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone?
The IUPAC name of [2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone (CID 162245679) is [2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone.
What is the SMILES notation for [2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone?
The canonical SMILES for [2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone is O=C([SiH3])c1cnc(Cl)nc1NC1CC1.
What is the InChIKey of [2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone?
The InChIKey is ZXHLEZBUFUALLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3OSi/c9-8-10-3-5(7(13)14)6(12-8)11-4-1-2-4/h3-4H,1-2H2,14H3,(H,10,11,12).
What are the key properties of [2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone?
[2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone has a molecular weight of 227.73 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone is sourced from PubChem (CID 162245679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).