ethane;4-(6-ethyl-2-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine

C16H25N3O — CID 166164815

IUPACethane;4-(6-ethyl-2-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
SMILESCC.CCC1=Cc2nc(C)nc(N3CCOCC3)c2C1
InChIInChI=1S/C14H19N3O.C2H6/c1-3-11-8-12-13(9-11)15-10(2)16-14(12)17-4-6-18-7-5-17;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyBYLLUFHZRZSPOY-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.00
Rot. Bonds2

About ethane;4-(6-ethyl-2-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine

ethane;4-(6-ethyl-2-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine (PubChem CID 166164815) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is ethane;4-(6-ethyl-2-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Nameethane;4-(6-ethyl-2-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
PubChem CID166164815
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Nameethane;4-(6-ethyl-2-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
SMILESCC.CCC1=Cc2nc(C)nc(N3CCOCC3)c2C1
InChIInChI=1S/C14H19N3O.C2H6/c1-3-11-8-12-13(9-11)15-10(2)16-14(12)17-4-6-18-7-5-17;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyBYLLUFHZRZSPOY-UHFFFAOYSA-N
XLogP3.00
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-Diphenyl-pyrimidin-4-yl)-morpholine
CID 656281
4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 135271014
4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine
CID 135271039
N-benzyl-6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 697249
N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 721057
4-methyl-2-morpholino-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 1481060
4-(2,5-dihydro-1H-pyrrol-1-yl)-2-(ethoxymethyl)-7-(tetrahydro-2H-pyran-4-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56910052
4-(6-Methyl-2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
CID 56918939
N-allyl-N,2-dimethyl-7-(morpholin-4-ylcarbonyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56903394
4-{2-Methyl-5H,6H,7H-cyclopenta[D]pyrimidin-4-YL}morpholine
CID 71836316
4-[6-(2-Fluorophenyl)-2-methylpyrimidin-4-yl]morpholine
CID 3590377
4-[6-(4-Fluorophenyl)-2-methylpyrimidin-4-yl]morpholine
CID 4153242

Frequently Asked Questions

What is the IUPAC name of ethane;4-(6-ethyl-2-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine?
The IUPAC name of ethane;4-(6-ethyl-2-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine (CID 166164815) is ethane;4-(6-ethyl-2-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for ethane;4-(6-ethyl-2-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine?
The canonical SMILES for ethane;4-(6-ethyl-2-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine is CC.CCC1=Cc2nc(C)nc(N3CCOCC3)c2C1.
What is the InChIKey of ethane;4-(6-ethyl-2-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine?
The InChIKey is BYLLUFHZRZSPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.C2H6/c1-3-11-8-12-13(9-11)15-10(2)16-14(12)17-4-6-18-7-5-17;1-2/h9H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;4-(6-ethyl-2-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine?
ethane;4-(6-ethyl-2-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine has a molecular weight of 275.40 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(6-ethyl-2-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 166164815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).