6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine

C14H24N4O — CID 91660989

IUPAC6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCCOc1cc(N(C)CC2CCN(C)CC2)ncn1
InChIInChI=1S/C14H24N4O/c1-4-19-14-9-13(15-11-16-14)18(3)10-12-5-7-17(2)8-6-12/h9,11-12H,4-8,10H2,1-3H3
InChIKeyIPGHINUNMDYALP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.65
Rot. Bonds5

About 6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine

6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine (PubChem CID 91660989) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
PubChem CID91660989
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCCOc1cc(N(C)CC2CCN(C)CC2)ncn1
InChIInChI=1S/C14H24N4O/c1-4-19-14-9-13(15-11-16-14)18(3)10-12-5-7-17(2)8-6-12/h9,11-12H,4-8,10H2,1-3H3
InChIKeyIPGHINUNMDYALP-UHFFFAOYSA-N
XLogP1.65
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine (CID 91660989) is 6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine is CCOc1cc(N(C)CC2CCN(C)CC2)ncn1.
What is the InChIKey of 6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is IPGHINUNMDYALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-19-14-9-13(15-11-16-14)18(3)10-12-5-7-17(2)8-6-12/h9,11-12H,4-8,10H2,1-3H3.
What are the key properties of 6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 264.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 91660989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).