4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde

C12H17ClN4O — CID 66366326

IUPAC4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde
SMILESCC(CN1CCCC1)Nc1ncnc(Cl)c1C=O
InChIInChI=1S/C12H17ClN4O/c1-9(6-17-4-2-3-5-17)16-12-10(7-18)11(13)14-8-15-12/h7-9H,2-6H2,1H3,(H,14,15,16)
InChIKeyGJYQGDVNAMTUTM-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.84
Rot. Bonds5

About 4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde

4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde (PubChem CID 66366326) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde
PubChem CID66366326
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde
SMILESCC(CN1CCCC1)Nc1ncnc(Cl)c1C=O
InChIInChI=1S/C12H17ClN4O/c1-9(6-17-4-2-3-5-17)16-12-10(7-18)11(13)14-8-15-12/h7-9H,2-6H2,1H3,(H,14,15,16)
InChIKeyGJYQGDVNAMTUTM-UHFFFAOYSA-N
XLogP1.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 63728295
6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine
CID 63022906
6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine
CID 63729469
4-[2-(azepan-1-yl)ethylamino]-6-chloropyrimidine-5-carbaldehyde
CID 106193990
6-hydrazinyl-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80897473
3,5-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 61222948
3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one
CID 115657160
3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
CID 81036944
6-chloro-4,5-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)pyridazin-3-amine
CID 55168144
4-chloro-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrimidine-5-carbaldehyde
CID 66366537
6-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitropyrimidin-4-amine
CID 62994227
4-chloro-6-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrimidine-5-carbaldehyde
CID 106192408

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde (CID 66366326) is 4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde is CC(CN1CCCC1)Nc1ncnc(Cl)c1C=O.
What is the InChIKey of 4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde?
The InChIKey is GJYQGDVNAMTUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-9(6-17-4-2-3-5-17)16-12-10(7-18)11(13)14-8-15-12/h7-9H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde?
4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde has a molecular weight of 268.75 g/mol, XLogP of 1.84, 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-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 66366326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).