8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

C18H28N4O — CID 97370003

IUPAC8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CCN(CC4CCOCC4)CC3)C2)nc1
InChIInChI=1S/C18H28N4O/c1-7-19-17(20-8-1)22-11-6-18(15-22)4-9-21(10-5-18)14-16-2-12-23-13-3-16/h1,7-8,16H,2-6,9-15H2
InChIKeyOOTBXCBHZCISNU-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.20
Rot. Bonds3

About 8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 97370003) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID97370003
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CCN(CC4CCOCC4)CC3)C2)nc1
InChIInChI=1S/C18H28N4O/c1-7-19-17(20-8-1)22-11-6-18(15-22)4-9-21(10-5-18)14-16-2-12-23-13-3-16/h1,7-8,16H,2-6,9-15H2
InChIKeyOOTBXCBHZCISNU-UHFFFAOYSA-N
XLogP2.20
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(Cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride
CID 45265071
1-(2-Pyrimidinyl)-4-piperidinemethanol
CID 2776521
[2-(Pyrimidin-2-YL)-2,8-diazaspiro[4.5]decan-4-YL]methanol
CID 90488145
2-(5-Methylpyrimidin-2-YL)-9-oxa-2-azaspiro[5.5]undecane
CID 72899435
2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
CID 75423984
2-[3-(2-Piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75432350
9-(Cyclopropylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane
CID 97370739
(4aR,7aS)-6-(oxan-4-ylmethyl)-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97377537
1-(2-Methoxyethyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 97409279
8-(Cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449515
N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 97449525
2-(Cyclopropylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 97484596

Frequently Asked Questions

What is the IUPAC name of 8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (CID 97370003) is 8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is c1cnc(N2CCC3(CCN(CC4CCOCC4)CC3)C2)nc1.
What is the InChIKey of 8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is OOTBXCBHZCISNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-7-19-17(20-8-1)22-11-6-18(15-22)4-9-21(10-5-18)14-16-2-12-23-13-3-16/h1,7-8,16H,2-6,9-15H2.
What are the key properties of 8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 316.45 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97370003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).