N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine

C14H21N3O — CID 133462019

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCCC2=CCOCC2)nc(C)n1
InChIInChI=1S/C14H21N3O/c1-3-13-10-14(17-11(2)16-13)15-7-4-12-5-8-18-9-6-12/h5,10H,3-4,6-9H2,1-2H3,(H,15,16,17)
InChIKeyFHCLRTTYMXGMAS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.50
Rot. Bonds5

About N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine (PubChem CID 133462019) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine
PubChem CID133462019
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCCC2=CCOCC2)nc(C)n1
InChIInChI=1S/C14H21N3O/c1-3-13-10-14(17-11(2)16-13)15-7-4-12-5-8-18-9-6-12/h5,10H,3-4,6-9H2,1-2H3,(H,15,16,17)
InChIKeyFHCLRTTYMXGMAS-UHFFFAOYSA-N
XLogP2.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133390554
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 65416274
N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 103844282
N-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133460793
8-bromo-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]quinolin-2-amine
CID 133390364
5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269253
6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine
CID 138053302
N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133472588
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 115896021
6-(difluoromethoxy)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylquinolin-4-amine
CID 133390442

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine (CID 133462019) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine is CCc1cc(NCCC2=CCOCC2)nc(C)n1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is FHCLRTTYMXGMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-13-10-14(17-11(2)16-13)15-7-4-12-5-8-18-9-6-12/h5,10H,3-4,6-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 247.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133462019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).