4-chloro-6-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyrimidine-5-carbaldehyde

C15H23ClN4O — CID 106194260

IUPAC4-chloro-6-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyrimidine-5-carbaldehyde
SMILESCC1CCCC(CNc2ncnc(Cl)c2C=O)(N(C)C)C1
InChIInChI=1S/C15H23ClN4O/c1-11-5-4-6-15(7-11,20(2)3)9-17-14-12(8-21)13(16)18-10-19-14/h8,10-11H,4-7,9H2,1-3H3,(H,17,18,19)
InChIKeyQUUWUWRJZZDFRM-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.86
Rot. Bonds5

About 4-chloro-6-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyrimidine-5-carbaldehyde

4-chloro-6-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyrimidine-5-carbaldehyde (PubChem CID 106194260) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 4-chloro-6-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyrimidine-5-carbaldehyde
PubChem CID106194260
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name4-chloro-6-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyrimidine-5-carbaldehyde
SMILESCC1CCCC(CNc2ncnc(Cl)c2C=O)(N(C)C)C1
InChIInChI=1S/C15H23ClN4O/c1-11-5-4-6-15(7-11,20(2)3)9-17-14-12(8-21)13(16)18-10-19-14/h8,10-11H,4-7,9H2,1-3H3,(H,17,18,19)
InChIKeyQUUWUWRJZZDFRM-UHFFFAOYSA-N
XLogP2.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyrimidine-5-carbaldehyde (CID 106194260) is 4-chloro-6-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyrimidine-5-carbaldehyde is CC1CCCC(CNc2ncnc(Cl)c2C=O)(N(C)C)C1.
What is the InChIKey of 4-chloro-6-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyrimidine-5-carbaldehyde?
The InChIKey is QUUWUWRJZZDFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-11-5-4-6-15(7-11,20(2)3)9-17-14-12(8-21)13(16)18-10-19-14/h8,10-11H,4-7,9H2,1-3H3,(H,17,18,19).
What are the key properties of 4-chloro-6-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyrimidine-5-carbaldehyde?
4-chloro-6-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyrimidine-5-carbaldehyde has a molecular weight of 310.83 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 106194260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).