N-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine

C18H29N3O2 — CID 119070220

IUPACN-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
SMILESCCN(c1cc(C2CCOC2)nc(COC)n1)C1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-3-21(15-7-5-4-6-8-15)18-11-16(14-9-10-23-12-14)19-17(20-18)13-22-2/h11,14-15H,3-10,12-13H2,1-2H3
InChIKeyMXDUEAZXOWJOPA-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.29
Rot. Bonds6

About N-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine

N-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 119070220) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID119070220
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
SMILESCCN(c1cc(C2CCOC2)nc(COC)n1)C1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-3-21(15-7-5-4-6-8-15)18-11-16(14-9-10-23-12-14)19-17(20-18)13-22-2/h11,14-15H,3-10,12-13H2,1-2H3
InChIKeyMXDUEAZXOWJOPA-UHFFFAOYSA-N
XLogP3.29
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119065901
6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113400832
2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 119063002
2-(methoxymethyl)-N-methyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 126448408
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119073075
2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol
CID 125171874
[4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 125162220
ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 119064029
(1S,5R)-3-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane
CID 126436849
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 126448608
2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 119061228
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126450398

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine (CID 119070220) is N-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine is CCN(c1cc(C2CCOC2)nc(COC)n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is MXDUEAZXOWJOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-21(15-7-5-4-6-8-15)18-11-16(14-9-10-23-12-14)19-17(20-18)13-22-2/h11,14-15H,3-10,12-13H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine?
N-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 319.45 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 119070220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).