N-methyl-N-[4-(2-phenylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C20H25N5 — CID 69428176

IUPACN-methyl-N-[4-(2-phenylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2[nH]ccc12)C1CNCCC1CCc1ccccc1
InChIInChI=1S/C20H25N5/c1-25(20-17-10-12-22-19(17)23-14-24-20)18-13-21-11-9-16(18)8-7-15-5-3-2-4-6-15/h2-6,10,12,14,16,18,21H,7-9,11,13H2,1H3,(H,22,23,24)
InChIKeyGVAIRSPGEBWREE-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.01
Rot. Bonds5

About N-methyl-N-[4-(2-phenylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-N-[4-(2-phenylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 69428176) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-methyl-N-[4-(2-phenylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[4-(2-phenylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID69428176
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC NameN-methyl-N-[4-(2-phenylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2[nH]ccc12)C1CNCCC1CCc1ccccc1
InChIInChI=1S/C20H25N5/c1-25(20-17-10-12-22-19(17)23-14-24-20)18-13-21-11-9-16(18)8-7-15-5-3-2-4-6-15/h2-6,10,12,14,16,18,21H,7-9,11,13H2,1H3,(H,22,23,24)
InChIKeyGVAIRSPGEBWREE-UHFFFAOYSA-N
XLogP3.01
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[4-(2-phenylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(4-ethylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 172970903
N-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 78357867
2-chloro-N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 159001714
N-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 172970961
1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 158999305
N-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 78038889
N-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875032
N-(2,4-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 68682476
benzyl 4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 68900587
N-[4-[(benzylsulfonimidoyl)methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155042210
N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 22484511
N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 160618729

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(2-phenylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[4-(2-phenylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 69428176) is N-methyl-N-[4-(2-phenylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[4-(2-phenylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[4-(2-phenylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(c1ncnc2[nH]ccc12)C1CNCCC1CCc1ccccc1.
What is the InChIKey of N-methyl-N-[4-(2-phenylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GVAIRSPGEBWREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-25(20-17-10-12-22-19(17)23-14-24-20)18-13-21-11-9-16(18)8-7-15-5-3-2-4-6-15/h2-6,10,12,14,16,18,21H,7-9,11,13H2,1H3,(H,22,23,24).
What are the key properties of N-methyl-N-[4-(2-phenylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-[4-(2-phenylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 335.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(2-phenylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 69428176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).