4-(3,5-dimethylpiperidin-1-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C16H25N5 — CID 91960726

IUPAC4-(3,5-dimethylpiperidin-1-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(N3CC(C)CC(C)C3)nc(N(C)C)nc2[nH]1
InChIInChI=1S/C16H25N5/c1-10-6-11(2)9-21(8-10)15-13-7-12(3)17-14(13)18-16(19-15)20(4)5/h7,10-11H,6,8-9H2,1-5H3,(H,17,18,19)
InChIKeyQUDLRHFMEGNHSU-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.81
Rot. Bonds2

About 4-(3,5-dimethylpiperidin-1-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-(3,5-dimethylpiperidin-1-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 91960726) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID91960726
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(N3CC(C)CC(C)C3)nc(N(C)C)nc2[nH]1
InChIInChI=1S/C16H25N5/c1-10-6-11(2)9-21(8-10)15-13-7-12(3)17-14(13)18-16(19-15)20(4)5/h7,10-11H,6,8-9H2,1-5H3,(H,17,18,19)
InChIKeyQUDLRHFMEGNHSU-UHFFFAOYSA-N
XLogP2.81
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 91960726) is 4-(3,5-dimethylpiperidin-1-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Cc1cc2c(N3CC(C)CC(C)C3)nc(N(C)C)nc2[nH]1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is QUDLRHFMEGNHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-10-6-11(2)9-21(8-10)15-13-7-12(3)17-14(13)18-16(19-15)20(4)5/h7,10-11H,6,8-9H2,1-5H3,(H,17,18,19).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-(3,5-dimethylpiperidin-1-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 91960726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).