6-methoxy-2,5-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-4-amine

C17H30N4O2 — CID 133431769

IUPAC6-methoxy-2,5-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1nc(C)nc(NC2CCN(CCOC(C)C)CC2)c1C
InChIInChI=1S/C17H30N4O2/c1-12(2)23-11-10-21-8-6-15(7-9-21)20-16-13(3)17(22-5)19-14(4)18-16/h12,15H,6-11H2,1-5H3,(H,18,19,20)
InChIKeyCBQOUMHPQVQSBJ-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.40
Rot. Bonds7

About 6-methoxy-2,5-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-4-amine

6-methoxy-2,5-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 133431769) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 6-methoxy-2,5-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-2,5-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID133431769
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name6-methoxy-2,5-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1nc(C)nc(NC2CCN(CCOC(C)C)CC2)c1C
InChIInChI=1S/C17H30N4O2/c1-12(2)23-11-10-21-8-6-15(7-9-21)20-16-13(3)17(22-5)19-14(4)18-16/h12,15H,6-11H2,1-5H3,(H,18,19,20)
InChIKeyCBQOUMHPQVQSBJ-UHFFFAOYSA-N
XLogP2.40
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,5-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-2,5-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-4-amine (CID 133431769) is 6-methoxy-2,5-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-2,5-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-2,5-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-4-amine is COc1nc(C)nc(NC2CCN(CCOC(C)C)CC2)c1C.
What is the InChIKey of 6-methoxy-2,5-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is CBQOUMHPQVQSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-12(2)23-11-10-21-8-6-15(7-9-21)20-16-13(3)17(22-5)19-14(4)18-16/h12,15H,6-11H2,1-5H3,(H,18,19,20).
What are the key properties of 6-methoxy-2,5-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-4-amine?
6-methoxy-2,5-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 322.45 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,5-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 133431769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).