5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine

C15H24N4O — CID 72868640

IUPAC5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine
SMILESCCc1cnc(N)nc1N1CCCC2(CCOCC2)C1
InChIInChI=1S/C15H24N4O/c1-2-12-10-17-14(16)18-13(12)19-7-3-4-15(11-19)5-8-20-9-6-15/h10H,2-9,11H2,1H3,(H2,16,17,18)
InChIKeyDZAHSOMVUHCSOP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.02
Rot. Bonds2

About 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine

5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine (PubChem CID 72868640) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine
PubChem CID72868640
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine
SMILESCCc1cnc(N)nc1N1CCCC2(CCOCC2)C1
InChIInChI=1S/C15H24N4O/c1-2-12-10-17-14(16)18-13(12)19-7-3-4-15(11-19)5-8-20-9-6-15/h10H,2-9,11H2,1H3,(H2,16,17,18)
InChIKeyDZAHSOMVUHCSOP-UHFFFAOYSA-N
XLogP2.02
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-Methyl-5-propyl-4-pyrimidinyl)-1-oxa-8-azaspiro[4.5]decane
CID 56873308
2-(5-Methylpyrimidin-2-YL)-9-oxa-2-azaspiro[5.5]undecane
CID 72899435
5-Ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine
CID 72936189
5-{[ethyl(tetrahydro-2H-pyran-4-ylmethyl)amino]methyl}pyrimidin-2-amine
CID 50971408
(4-{[(5-ethyl-2-methylpyrimidin-4-yl)(methyl)amino]methyl}tetrahydro-2H-pyran-4-yl)methanol
CID 50982053
1-(2-methyl-5-propylpyrimidin-4-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
CID 72873384
2-(2,5-Dimethylpyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecane
CID 138005597
N-[2-[(3R)-oxan-3-yl]ethyl]-5-propylpyrimidin-4-amine
CID 164637347
5-tert-butyl-2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine
CID 176018507
9-(5-Ethyl-2-methylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane
CID 56867432
3-(1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl)propan-1-ol
CID 59158898
5-(Oxan-4-ylmethyl)pyrimidine-2,4-diamine
CID 67478722

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine (CID 72868640) is 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine is CCc1cnc(N)nc1N1CCCC2(CCOCC2)C1.
What is the InChIKey of 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine?
The InChIKey is DZAHSOMVUHCSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-12-10-17-14(16)18-13(12)19-7-3-4-15(11-19)5-8-20-9-6-15/h10H,2-9,11H2,1H3,(H2,16,17,18).
What are the key properties of 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine?
5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine has a molecular weight of 276.38 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 72868640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).