3-(anilinomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine

C19H24N6 — CID 69186475

IUPAC3-(anilinomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine
SMILESCc1c[nH]c2ncnc(N3CCCC(N)(CNc4ccccc4)C3)c12
InChIInChI=1S/C19H24N6/c1-14-10-21-17-16(14)18(24-13-23-17)25-9-5-8-19(20,12-25)11-22-15-6-3-2-4-7-15/h2-4,6-7,10,13,22H,5,8-9,11-12,20H2,1H3,(H,21,23,24)
InChIKeyOMTULLFRLVGYSI-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.68
Rot. Bonds4

About 3-(anilinomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine

3-(anilinomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine (PubChem CID 69186475) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(anilinomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine.

Molecular Properties

Compound Name3-(anilinomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine
PubChem CID69186475
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name3-(anilinomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine
SMILESCc1c[nH]c2ncnc(N3CCCC(N)(CNc4ccccc4)C3)c12
InChIInChI=1S/C19H24N6/c1-14-10-21-17-16(14)18(24-13-23-17)25-9-5-8-19(20,12-25)11-22-15-6-3-2-4-7-15/h2-4,6-7,10,13,22H,5,8-9,11-12,20H2,1H3,(H,21,23,24)
InChIKeyOMTULLFRLVGYSI-UHFFFAOYSA-N
XLogP2.68
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(anilinomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine?
The IUPAC name of 3-(anilinomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine (CID 69186475) is 3-(anilinomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine.
What is the SMILES notation for 3-(anilinomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine?
The canonical SMILES for 3-(anilinomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine is Cc1c[nH]c2ncnc(N3CCCC(N)(CNc4ccccc4)C3)c12.
What is the InChIKey of 3-(anilinomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine?
The InChIKey is OMTULLFRLVGYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-14-10-21-17-16(14)18(24-13-23-17)25-9-5-8-19(20,12-25)11-22-15-6-3-2-4-7-15/h2-4,6-7,10,13,22H,5,8-9,11-12,20H2,1H3,(H,21,23,24).
What are the key properties of 3-(anilinomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine?
3-(anilinomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine has a molecular weight of 336.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(anilinomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine is sourced from PubChem (CID 69186475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).