N-methyl-4-(7-methyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)aniline

C19H23N5 — CID 172623602

IUPACN-methyl-4-(7-methyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)aniline
SMILESCNc1ccc(-c2cc3c(N4CCCCC4)ncnc3n2C)cc1
InChIInChI=1S/C19H23N5/c1-20-15-8-6-14(7-9-15)17-12-16-18(23(17)2)21-13-22-19(16)24-10-4-3-5-11-24/h6-9,12-13,20H,3-5,10-11H2,1-2H3
InChIKeyCNZRWDDFPZACGY-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.67
Rot. Bonds3

About N-methyl-4-(7-methyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)aniline

N-methyl-4-(7-methyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)aniline (PubChem CID 172623602) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-methyl-4-(7-methyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(7-methyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)aniline
PubChem CID172623602
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC NameN-methyl-4-(7-methyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)aniline
SMILESCNc1ccc(-c2cc3c(N4CCCCC4)ncnc3n2C)cc1
InChIInChI=1S/C19H23N5/c1-20-15-8-6-14(7-9-15)17-12-16-18(23(17)2)21-13-22-19(16)24-10-4-3-5-11-24/h6-9,12-13,20H,3-5,10-11H2,1-2H3
InChIKeyCNZRWDDFPZACGY-UHFFFAOYSA-N
XLogP3.67
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)benzamide
CID 18981251
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
7-methyl-6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 143080870
6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
CID 69016475
7-(azepan-1-yl)-3-ethyltriazolo[4,5-d]pyrimidine
CID 7584315
N-(4-methylphenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196274
4-(azepan-1-yl)quinazoline
CID 5207391
4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303
4-(azepan-1-yl)-6-methoxyquinazoline
CID 21002922
4-(azocan-1-yl)quinazolin-7-amine
CID 65337382
5-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80763765
4-(azepan-1-yl)quinazolin-7-amine
CID 65336850

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(7-methyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)aniline?
The IUPAC name of N-methyl-4-(7-methyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)aniline (CID 172623602) is N-methyl-4-(7-methyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)aniline.
What is the SMILES notation for N-methyl-4-(7-methyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)aniline?
The canonical SMILES for N-methyl-4-(7-methyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)aniline is CNc1ccc(-c2cc3c(N4CCCCC4)ncnc3n2C)cc1.
What is the InChIKey of N-methyl-4-(7-methyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)aniline?
The InChIKey is CNZRWDDFPZACGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-20-15-8-6-14(7-9-15)17-12-16-18(23(17)2)21-13-22-19(16)24-10-4-3-5-11-24/h6-9,12-13,20H,3-5,10-11H2,1-2H3.
What are the key properties of N-methyl-4-(7-methyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)aniline?
N-methyl-4-(7-methyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)aniline has a molecular weight of 321.43 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(7-methyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)aniline is sourced from PubChem (CID 172623602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).