4-(6-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)aniline

C18H23N5 — CID 90207069

IUPAC4-(6-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)aniline
SMILESCN1Cc2nc(N3CCCCC3)nc(-c3ccc(N)cc3)c2C1
InChIInChI=1S/C18H23N5/c1-22-11-15-16(12-22)20-18(23-9-3-2-4-10-23)21-17(15)13-5-7-14(19)8-6-13/h5-8H,2-4,9-12,19H2,1H3
InChIKeyFJXCDODAPDDLTO-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.66
Rot. Bonds2

About 4-(6-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)aniline

4-(6-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)aniline (PubChem CID 90207069) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-(6-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)aniline.

Molecular Properties

Compound Name4-(6-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)aniline
PubChem CID90207069
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name4-(6-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)aniline
SMILESCN1Cc2nc(N3CCCCC3)nc(-c3ccc(N)cc3)c2C1
InChIInChI=1S/C18H23N5/c1-22-11-15-16(12-22)20-18(23-9-3-2-4-10-23)21-17(15)13-5-7-14(19)8-6-13/h5-8H,2-4,9-12,19H2,1H3
InChIKeyFJXCDODAPDDLTO-UHFFFAOYSA-N
XLogP2.66
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)aniline?
The IUPAC name of 4-(6-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)aniline (CID 90207069) is 4-(6-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)aniline.
What is the SMILES notation for 4-(6-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)aniline?
The canonical SMILES for 4-(6-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)aniline is CN1Cc2nc(N3CCCCC3)nc(-c3ccc(N)cc3)c2C1.
What is the InChIKey of 4-(6-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)aniline?
The InChIKey is FJXCDODAPDDLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-22-11-15-16(12-22)20-18(23-9-3-2-4-10-23)21-17(15)13-5-7-14(19)8-6-13/h5-8H,2-4,9-12,19H2,1H3.
What are the key properties of 4-(6-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)aniline?
4-(6-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)aniline has a molecular weight of 309.42 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)aniline is sourced from PubChem (CID 90207069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).