4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine

C16H28N4O — CID 75423985

IUPAC4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NC2CCN(CCOC(C)C)CC2)n1
InChIInChI=1S/C16H28N4O/c1-12(2)21-10-9-20-7-5-15(6-8-20)19-16-17-13(3)11-14(4)18-16/h11-12,15H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyOKUBZAWPYIASBS-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.39
Rot. Bonds6

About 4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine

4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 75423985) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID75423985
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NC2CCN(CCOC(C)C)CC2)n1
InChIInChI=1S/C16H28N4O/c1-12(2)21-10-9-20-7-5-15(6-8-20)19-16-17-13(3)11-14(4)18-16/h11-12,15H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyOKUBZAWPYIASBS-UHFFFAOYSA-N
XLogP2.39
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine (CID 75423985) is 4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine is Cc1cc(C)nc(NC2CCN(CCOC(C)C)CC2)n1.
What is the InChIKey of 4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is OKUBZAWPYIASBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)21-10-9-20-7-5-15(6-8-20)19-16-17-13(3)11-14(4)18-16/h11-12,15H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine?
4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 75423985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).