N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine

C13H22N4O — CID 175657002

IUPACN-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
SMILESCOCCNc1cc(C2CCCNC2)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-10-16-12(11-4-3-5-14-9-11)8-13(17-10)15-6-7-18-2/h8,11,14H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyKLQUGXXXUVKCPN-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.31
Rot. Bonds5

About N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine

N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine (PubChem CID 175657002) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
PubChem CID175657002
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
SMILESCOCCNc1cc(C2CCCNC2)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-10-16-12(11-4-3-5-14-9-11)8-13(17-10)15-6-7-18-2/h8,11,14H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyKLQUGXXXUVKCPN-UHFFFAOYSA-N
XLogP1.31
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine (CID 175657002) is N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine is COCCNc1cc(C2CCCNC2)nc(C)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine?
The InChIKey is KLQUGXXXUVKCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-16-12(11-4-3-5-14-9-11)8-13(17-10)15-6-7-18-2/h8,11,14H,3-7,9H2,1-2H3,(H,15,16,17).
What are the key properties of N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine?
N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 175657002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).