5-chloro-4-(1-methylindol-4-yl)pyrimidin-2-amine;hexane

C19H25ClN4 — CID 144940962

IUPAC5-chloro-4-(1-methylindol-4-yl)pyrimidin-2-amine;hexane
SMILESCCCCCC.Cn1ccc2c(-c3nc(N)ncc3Cl)cccc21
InChIInChI=1S/C13H11ClN4.C6H14/c1-18-6-5-8-9(3-2-4-11(8)18)12-10(14)7-16-13(15)17-12;1-3-5-6-4-2/h2-7H,1H3,(H2,15,16,17);3-6H2,1-2H3
InChIKeyNVCANWURTSVVRB-UHFFFAOYSA-N
MW344.89 g/mol
LogP5.46
Rot. Bonds4

About 5-chloro-4-(1-methylindol-4-yl)pyrimidin-2-amine;hexane

5-chloro-4-(1-methylindol-4-yl)pyrimidin-2-amine;hexane (PubChem CID 144940962) has the molecular formula C19H25ClN4 and a molecular weight of 344.89 g/mol. Its IUPAC name is 5-chloro-4-(1-methylindol-4-yl)pyrimidin-2-amine;hexane.

Molecular Properties

Compound Name5-chloro-4-(1-methylindol-4-yl)pyrimidin-2-amine;hexane
PubChem CID144940962
Molecular FormulaC19H25ClN4
Molecular Weight344.89 g/mol
Exact Mass344.18
IUPAC Name5-chloro-4-(1-methylindol-4-yl)pyrimidin-2-amine;hexane
SMILESCCCCCC.Cn1ccc2c(-c3nc(N)ncc3Cl)cccc21
InChIInChI=1S/C13H11ClN4.C6H14/c1-18-6-5-8-9(3-2-4-11(8)18)12-10(14)7-16-13(15)17-12;1-3-5-6-4-2/h2-7H,1H3,(H2,15,16,17);3-6H2,1-2H3
InChIKeyNVCANWURTSVVRB-UHFFFAOYSA-N
XLogP5.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.89
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-4-(1-methylindol-4-yl)pyrimidin-2-amine;hexane 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

5-chloro-4-(1-methylsulfanylindol-4-yl)pyrimidin-2-amine
CID 171661368
4-chloro-1-methylindole;ethane
CID 142062846
1-methyl-4-propylindole
CID 59939717
5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine
CID 166661287
tert-butyl 4-(2,5-dichloropyrimidin-4-yl)indole-1-carboxylate
CID 171839816
5-chloro-4-[5-ethynyl-1-(2-methoxyethyl)indol-3-yl]pyrimidin-2-amine
CID 58221351
4-(2-amino-5-butylpyrimidin-4-yl)-2-methylisoquinolin-1-one
CID 134310943
4-(1-methylindol-5-yl)pyrimidine-2,5-diamine
CID 82388292
5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;N-pentylcyclohexanamine
CID 153334298
4-(2-chlorophenyl)-5-methylpyrimidin-2-amine
CID 68614881
4-(2,2-dimethylpropyl)-1-methylindole
CID 69029951
3-[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-5-nitrobenzene-1,4-diamine
CID 118903811

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1-methylindol-4-yl)pyrimidin-2-amine;hexane?
The IUPAC name of 5-chloro-4-(1-methylindol-4-yl)pyrimidin-2-amine;hexane (CID 144940962) is 5-chloro-4-(1-methylindol-4-yl)pyrimidin-2-amine;hexane.
What is the SMILES notation for 5-chloro-4-(1-methylindol-4-yl)pyrimidin-2-amine;hexane?
The canonical SMILES for 5-chloro-4-(1-methylindol-4-yl)pyrimidin-2-amine;hexane is CCCCCC.Cn1ccc2c(-c3nc(N)ncc3Cl)cccc21.
What is the InChIKey of 5-chloro-4-(1-methylindol-4-yl)pyrimidin-2-amine;hexane?
The InChIKey is NVCANWURTSVVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4.C6H14/c1-18-6-5-8-9(3-2-4-11(8)18)12-10(14)7-16-13(15)17-12;1-3-5-6-4-2/h2-7H,1H3,(H2,15,16,17);3-6H2,1-2H3.
What are the key properties of 5-chloro-4-(1-methylindol-4-yl)pyrimidin-2-amine;hexane?
5-chloro-4-(1-methylindol-4-yl)pyrimidin-2-amine;hexane has a molecular weight of 344.89 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1-methylindol-4-yl)pyrimidin-2-amine;hexane is sourced from PubChem (CID 144940962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).