4-chloro-6-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde

C11H15ClN4O — CID 66367770

IUPAC4-chloro-6-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde
SMILESCN1CCC(Nc2ncnc(Cl)c2C=O)CC1
InChIInChI=1S/C11H15ClN4O/c1-16-4-2-8(3-5-16)15-11-9(6-17)10(12)13-7-14-11/h6-8H,2-5H2,1H3,(H,13,14,15)
InChIKeyOYUWJQYLCGETLG-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.45
Rot. Bonds3

About 4-chloro-6-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde

4-chloro-6-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde (PubChem CID 66367770) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-chloro-6-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde
PubChem CID66367770
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name4-chloro-6-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde
SMILESCN1CCC(Nc2ncnc(Cl)c2C=O)CC1
InChIInChI=1S/C11H15ClN4O/c1-16-4-2-8(3-5-16)15-11-9(6-17)10(12)13-7-14-11/h6-8H,2-5H2,1H3,(H,13,14,15)
InChIKeyOYUWJQYLCGETLG-UHFFFAOYSA-N
XLogP1.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
CID 63730271
4-chloro-6-(oxolan-3-ylamino)pyrimidine-5-carbaldehyde
CID 80714100
4-chloro-6-(oxan-3-ylamino)pyrimidine-5-carbaldehyde
CID 66366543
4-chloro-6-[(6-oxopiperidin-3-yl)amino]pyrimidine-5-carbaldehyde
CID 66366545
4-chloro-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrimidine-5-carbaldehyde
CID 79350606
4-chloro-6-[(2-methylcycloheptyl)amino]pyrimidine-5-carbaldehyde
CID 66369213
4-(2-bicyclo[2.2.1]heptanylamino)-6-chloropyrimidine-5-carbaldehyde
CID 66369017
4-chloro-6-[[2-(hydroxymethyl)cyclohexyl]amino]pyrimidine-5-carbaldehyde
CID 114179129
4-chloro-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrimidine-5-carbaldehyde
CID 66366537
tert-butyl 4-[(6-chloro-5-methanimidoylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 58270352
4-[2-(azepan-1-yl)ethylamino]-6-chloropyrimidine-5-carbaldehyde
CID 106193990
6-hydrazinyl-N-(1-methylpiperidin-4-yl)-5-propylpyrimidin-4-amine
CID 80895120

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde (CID 66367770) is 4-chloro-6-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde is CN1CCC(Nc2ncnc(Cl)c2C=O)CC1.
What is the InChIKey of 4-chloro-6-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde?
The InChIKey is OYUWJQYLCGETLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-16-4-2-8(3-5-16)15-11-9(6-17)10(12)13-7-14-11/h6-8H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 4-chloro-6-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde?
4-chloro-6-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde has a molecular weight of 254.72 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 66367770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).