2-(ethylamino)-N-(1-oxaspiro[4.4]nonan-3-yl)pyrimidine-5-carboxamide

C15H22N4O2 — CID 72899572

IUPAC2-(ethylamino)-N-(1-oxaspiro[4.4]nonan-3-yl)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NC2COC3(CCCC3)C2)cn1
InChIInChI=1S/C15H22N4O2/c1-2-16-14-17-8-11(9-18-14)13(20)19-12-7-15(21-10-12)5-3-4-6-15/h8-9,12H,2-7,10H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyBQQHIAGYLCHHBR-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.74
Rot. Bonds4

About 2-(ethylamino)-N-(1-oxaspiro[4.4]nonan-3-yl)pyrimidine-5-carboxamide

2-(ethylamino)-N-(1-oxaspiro[4.4]nonan-3-yl)pyrimidine-5-carboxamide (PubChem CID 72899572) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(ethylamino)-N-(1-oxaspiro[4.4]nonan-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(1-oxaspiro[4.4]nonan-3-yl)pyrimidine-5-carboxamide
PubChem CID72899572
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-(ethylamino)-N-(1-oxaspiro[4.4]nonan-3-yl)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NC2COC3(CCCC3)C2)cn1
InChIInChI=1S/C15H22N4O2/c1-2-16-14-17-8-11(9-18-14)13(20)19-12-7-15(21-10-12)5-3-4-6-15/h8-9,12H,2-7,10H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyBQQHIAGYLCHHBR-UHFFFAOYSA-N
XLogP1.74
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(1-oxaspiro[4.4]nonan-3-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(1-oxaspiro[4.4]nonan-3-yl)pyrimidine-5-carboxamide (CID 72899572) is 2-(ethylamino)-N-(1-oxaspiro[4.4]nonan-3-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(1-oxaspiro[4.4]nonan-3-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(1-oxaspiro[4.4]nonan-3-yl)pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NC2COC3(CCCC3)C2)cn1.
What is the InChIKey of 2-(ethylamino)-N-(1-oxaspiro[4.4]nonan-3-yl)pyrimidine-5-carboxamide?
The InChIKey is BQQHIAGYLCHHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-16-14-17-8-11(9-18-14)13(20)19-12-7-15(21-10-12)5-3-4-6-15/h8-9,12H,2-7,10H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-(ethylamino)-N-(1-oxaspiro[4.4]nonan-3-yl)pyrimidine-5-carboxamide?
2-(ethylamino)-N-(1-oxaspiro[4.4]nonan-3-yl)pyrimidine-5-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(1-oxaspiro[4.4]nonan-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 72899572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).