4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde

C10H15ClN4O — CID 66366320

IUPAC4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde
SMILESCN(C)CCCNc1ncnc(Cl)c1C=O
InChIInChI=1S/C10H15ClN4O/c1-15(2)5-3-4-12-10-8(6-16)9(11)13-7-14-10/h6-7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeySCUIPGOAJAVAGL-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.31
Rot. Bonds6

About 4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde

4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde (PubChem CID 66366320) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde
PubChem CID66366320
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde
SMILESCN(C)CCCNc1ncnc(Cl)c1C=O
InChIInChI=1S/C10H15ClN4O/c1-15(2)5-3-4-12-10-8(6-16)9(11)13-7-14-10/h6-7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeySCUIPGOAJAVAGL-UHFFFAOYSA-N
XLogP1.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde (CID 66366320) is 4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde is CN(C)CCCNc1ncnc(Cl)c1C=O.
What is the InChIKey of 4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde?
The InChIKey is SCUIPGOAJAVAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-15(2)5-3-4-12-10-8(6-16)9(11)13-7-14-10/h6-7H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde?
4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde has a molecular weight of 242.71 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 66366320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).