4-(6-chloro-1H-indol-3-yl)pyrimidin-2-amine

C12H9ClN4 — CID 16751208

IUPAC4-(6-chloro-1H-indol-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3cc(Cl)ccc23)n1
InChIInChI=1S/C12H9ClN4/c13-7-1-2-8-9(6-16-11(8)5-7)10-3-4-15-12(14)17-10/h1-6,16H,(H2,14,15,17)
InChIKeyCTBDAPMROQIBKY-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.86
Rot. Bonds1

About 4-(6-chloro-1H-indol-3-yl)pyrimidin-2-amine

4-(6-chloro-1H-indol-3-yl)pyrimidin-2-amine (PubChem CID 16751208) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 4-(6-chloro-1H-indol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-chloro-1H-indol-3-yl)pyrimidin-2-amine
PubChem CID16751208
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name4-(6-chloro-1H-indol-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3cc(Cl)ccc23)n1
InChIInChI=1S/C12H9ClN4/c13-7-1-2-8-9(6-16-11(8)5-7)10-3-4-15-12(14)17-10/h1-6,16H,(H2,14,15,17)
InChIKeyCTBDAPMROQIBKY-UHFFFAOYSA-N
XLogP2.86
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-amine
CID 17751819
Meridianin D
CID 401171
Meridianin C
CID 10017019
Tuspetinib
CID 135390910
6-Chloro-N-Cyclohexyl-4-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyridin-2-Amine
CID 49843482
1-(4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 11696113
4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide
CID 16129582
1-(4-(4-chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 24762195
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
2-(6-chloropyridin-3-yl)-1H-1,3-benzodiazole
CID 1488390
9H-Pyrido(2,3-b)indole
CID 67486

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-indol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(6-chloro-1H-indol-3-yl)pyrimidin-2-amine (CID 16751208) is 4-(6-chloro-1H-indol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(6-chloro-1H-indol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(6-chloro-1H-indol-3-yl)pyrimidin-2-amine is Nc1nccc(-c2c[nH]c3cc(Cl)ccc23)n1.
What is the InChIKey of 4-(6-chloro-1H-indol-3-yl)pyrimidin-2-amine?
The InChIKey is CTBDAPMROQIBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-7-1-2-8-9(6-16-11(8)5-7)10-3-4-15-12(14)17-10/h1-6,16H,(H2,14,15,17).
What are the key properties of 4-(6-chloro-1H-indol-3-yl)pyrimidin-2-amine?
4-(6-chloro-1H-indol-3-yl)pyrimidin-2-amine has a molecular weight of 244.69 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-indol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 16751208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).