10-(cyclopropylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

C16H24N4O — CID 118746975

IUPAC10-(cyclopropylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1cnc(N2CCC3(COCCN(CC4CC4)C3)C2)nc1
InChIInChI=1S/C16H24N4O/c1-5-17-15(18-6-1)20-7-4-16(12-20)11-19(8-9-21-13-16)10-14-2-3-14/h1,5-6,14H,2-4,7-13H2
InChIKeyIXVGQSHXQZQIDI-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.42
Rot. Bonds3

About 10-(cyclopropylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

10-(cyclopropylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 118746975) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-(cyclopropylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID118746975
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name10-(cyclopropylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1cnc(N2CCC3(COCCN(CC4CC4)C3)C2)nc1
InChIInChI=1S/C16H24N4O/c1-5-17-15(18-6-1)20-7-4-16(12-20)11-19(8-9-21-13-16)10-14-2-3-14/h1,5-6,14H,2-4,7-13H2
InChIKeyIXVGQSHXQZQIDI-UHFFFAOYSA-N
XLogP1.42
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-(cyclopropylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 118746975) is 10-(cyclopropylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-(cyclopropylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-(cyclopropylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is c1cnc(N2CCC3(COCCN(CC4CC4)C3)C2)nc1.
What is the InChIKey of 10-(cyclopropylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is IXVGQSHXQZQIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-17-15(18-6-1)20-7-4-16(12-20)11-19(8-9-21-13-16)10-14-2-3-14/h1,5-6,14H,2-4,7-13H2.
What are the key properties of 10-(cyclopropylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
10-(cyclopropylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 288.39 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopropylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 118746975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).