N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine

C15H26N4O — CID 95857556

IUPACN-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
SMILESCOc1ncc(CN(C)C2CCN(C(C)C)CC2)cn1
InChIInChI=1S/C15H26N4O/c1-12(2)19-7-5-14(6-8-19)18(3)11-13-9-16-15(20-4)17-10-13/h9-10,12,14H,5-8,11H2,1-4H3
InChIKeyJCAOORRYJGQHRP-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.79
Rot. Bonds5

About N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine

N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine (PubChem CID 95857556) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
PubChem CID95857556
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
SMILESCOc1ncc(CN(C)C2CCN(C(C)C)CC2)cn1
InChIInChI=1S/C15H26N4O/c1-12(2)19-7-5-14(6-8-19)18(3)11-13-9-16-15(20-4)17-10-13/h9-10,12,14H,5-8,11H2,1-4H3
InChIKeyJCAOORRYJGQHRP-UHFFFAOYSA-N
XLogP1.79
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine (CID 95857556) is N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine is COc1ncc(CN(C)C2CCN(C(C)C)CC2)cn1.
What is the InChIKey of N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
The InChIKey is JCAOORRYJGQHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)19-7-5-14(6-8-19)18(3)11-13-9-16-15(20-4)17-10-13/h9-10,12,14H,5-8,11H2,1-4H3.
What are the key properties of N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 95857556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).