5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine

C13H11ClN4 — CID 123474723

IUPAC5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(-c2cccc3[nH]ccc23)n1
InChIInChI=1S/C13H11ClN4/c1-15-13-17-7-10(14)12(18-13)9-3-2-4-11-8(9)5-6-16-11/h2-7,16H,1H3,(H,15,17,18)
InChIKeyRDDIQHLAYXDAPM-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.32
Rot. Bonds2

About 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine

5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine (PubChem CID 123474723) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine
PubChem CID123474723
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(-c2cccc3[nH]ccc23)n1
InChIInChI=1S/C13H11ClN4/c1-15-13-17-7-10(14)12(18-13)9-3-2-4-11-8(9)5-6-16-11/h2-7,16H,1H3,(H,15,17,18)
InChIKeyRDDIQHLAYXDAPM-UHFFFAOYSA-N
XLogP3.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-1-N-[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine
CID 118425298
4-(3-chloro-2-pyridinyl)-1H-indole
CID 56704987
5-chloro-4-(5-methoxy-1H-indol-3-yl)-N-methylpyrimidin-2-amine
CID 123591416
3-chloro-5-[[4-(1H-indol-4-yl)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 24962486
4-(2,3-dichlorophenyl)-1H-indole
CID 172647420
N-[3-[[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]methyl]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 157093608
5-chloro-4-(1H-indol-3-yl)-N-[4-(methylsulfonimidoyl)phenyl]pyrimidin-2-amine
CID 156576120
5-chloro-4-(1H-indol-3-yl)-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidin-2-amine
CID 162674952
N-(3-imidazol-1-ylphenyl)-4-(1H-indol-4-yl)-5-methylpyrimidin-2-amine
CID 24962128
cis-(1S,3R)-1-N-chloro-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine
CID 118426018
1-[3-[5-chloro-2-(methylamino)pyrimidin-4-yl]phenyl]pyridin-2-one
CID 172592255
N-methyl-1H-indol-4-amine;hydrochloride
CID 174419140

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine (CID 123474723) is 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine is CNc1ncc(Cl)c(-c2cccc3[nH]ccc23)n1.
What is the InChIKey of 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine?
The InChIKey is RDDIQHLAYXDAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-15-13-17-7-10(14)12(18-13)9-3-2-4-11-8(9)5-6-16-11/h2-7,16H,1H3,(H,15,17,18).
What are the key properties of 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine?
5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine has a molecular weight of 258.71 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 123474723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).