2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C19H23N5 — CID 110430903

IUPAC2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(N3CCCCC3)cc2)c2cc(C)[nH]c2n1
InChIInChI=1S/C19H23N5/c1-13-12-17-18(20-13)21-14(2)22-19(17)23-15-6-8-16(9-7-15)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11H2,1-2H3,(H2,20,21,22,23)
InChIKeyHSUHRSOBOYMUIA-UHFFFAOYSA-N
MW321.43 g/mol
LogP4.31
Rot. Bonds3

About 2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430903) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430903
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(N3CCCCC3)cc2)c2cc(C)[nH]c2n1
InChIInChI=1S/C19H23N5/c1-13-12-17-18(20-13)21-14(2)22-19(17)23-15-6-8-16(9-7-15)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11H2,1-2H3,(H2,20,21,22,23)
InChIKeyHSUHRSOBOYMUIA-UHFFFAOYSA-N
XLogP4.31
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine 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

N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91960829
4-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 110430519
4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 110430224
2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430726
N-(3,4-difluorophenyl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91960952
6-methyl-N-(4-phenoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961019
[4-[(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 91960840
6-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 62923074
6-hydrazinyl-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 80907284
[4-[[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone
CID 91960681
2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430273
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112870787

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430903) is 2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(Nc2ccc(N3CCCCC3)cc2)c2cc(C)[nH]c2n1.
What is the InChIKey of 2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HSUHRSOBOYMUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-13-12-17-18(20-13)21-14(2)22-19(17)23-15-6-8-16(9-7-15)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 321.43 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).