4,5-dimethyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-2-amine

C14H23N5 — CID 72838991

IUPAC4,5-dimethyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-2-amine
SMILESCc1nc(N)nc(N2CC(N3CCCCC3)C2)c1C
InChIInChI=1S/C14H23N5/c1-10-11(2)16-14(15)17-13(10)19-8-12(9-19)18-6-4-3-5-7-18/h12H,3-9H2,1-2H3,(H2,15,16,17)
InChIKeyGKSAVHZXHCUWDI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.35
Rot. Bonds2

About 4,5-dimethyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-2-amine

4,5-dimethyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-2-amine (PubChem CID 72838991) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4,5-dimethyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-2-amine
PubChem CID72838991
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4,5-dimethyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-2-amine
SMILESCc1nc(N)nc(N2CC(N3CCCCC3)C2)c1C
InChIInChI=1S/C14H23N5/c1-10-11(2)16-14(15)17-13(10)19-8-12(9-19)18-6-4-3-5-7-18/h12H,3-9H2,1-2H3,(H2,15,16,17)
InChIKeyGKSAVHZXHCUWDI-UHFFFAOYSA-N
XLogP1.35
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4,5-dimethyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-2-amine (CID 72838991) is 4,5-dimethyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4,5-dimethyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4,5-dimethyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-2-amine is Cc1nc(N)nc(N2CC(N3CCCCC3)C2)c1C.
What is the InChIKey of 4,5-dimethyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-2-amine?
The InChIKey is GKSAVHZXHCUWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-10-11(2)16-14(15)17-13(10)19-8-12(9-19)18-6-4-3-5-7-18/h12H,3-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 4,5-dimethyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-2-amine?
4,5-dimethyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 72838991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).