N-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine

C18H21N5 — CID 99773777

IUPACN-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCc1ccc(NC2CCN(c3ncnc4[nH]ccc34)CC2)cc1
InChIInChI=1S/C18H21N5/c1-13-2-4-14(5-3-13)22-15-7-10-23(11-8-15)18-16-6-9-19-17(16)20-12-21-18/h2-6,9,12,15,22H,7-8,10-11H2,1H3,(H,19,20,21)
InChIKeyOSJPBKMLSAAWDO-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.35
Rot. Bonds3

About N-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine

N-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine (PubChem CID 99773777) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
PubChem CID99773777
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCc1ccc(NC2CCN(c3ncnc4[nH]ccc34)CC2)cc1
InChIInChI=1S/C18H21N5/c1-13-2-4-14(5-3-13)22-15-7-10-23(11-8-15)18-16-6-9-19-17(16)20-12-21-18/h2-6,9,12,15,22H,7-8,10-11H2,1H3,(H,19,20,21)
InChIKeyOSJPBKMLSAAWDO-UHFFFAOYSA-N
XLogP3.35
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine (CID 99773777) is N-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine is Cc1ccc(NC2CCN(c3ncnc4[nH]ccc34)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The InChIKey is OSJPBKMLSAAWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-13-2-4-14(5-3-13)22-15-7-10-23(11-8-15)18-16-6-9-19-17(16)20-12-21-18/h2-6,9,12,15,22H,7-8,10-11H2,1H3,(H,19,20,21).
What are the key properties of N-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
N-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 99773777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).