(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane

C16H20N6O — CID 97385039

IUPAC(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1cnc(N2CCOC[C@]3(CCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C16H20N6O/c1-4-17-14(18-5-1)21-8-3-16(11-21)12-22(9-10-23-13-16)15-19-6-2-7-20-15/h1-2,4-7H,3,8-13H2/t16-/m0/s1
InChIKeyGXQULMARQNNVOD-INIZCTEOSA-N
MW312.38 g/mol
LogP1.00
Rot. Bonds2

About (5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane

(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97385039) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is (5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97385039
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1cnc(N2CCOC[C@]3(CCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C16H20N6O/c1-4-17-14(18-5-1)21-8-3-16(11-21)12-22(9-10-23-13-16)15-19-6-2-7-20-15/h1-2,4-7H,3,8-13H2/t16-/m0/s1
InChIKeyGXQULMARQNNVOD-INIZCTEOSA-N
XLogP1.00
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5S)-2-pyrimidin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472314
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
(5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472274
(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472318
pyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 97385043
10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131649078
(6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494547
10-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131660491
(5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385034
11-(cyclopropylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118743550
1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398116
2-(pyridin-2-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131640300

Frequently Asked Questions

What is the IUPAC name of (5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97385039) is (5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane is c1cnc(N2CCOC[C@]3(CCN(c4ncccn4)C3)C2)nc1.
What is the InChIKey of (5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is GXQULMARQNNVOD-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N6O/c1-4-17-14(18-5-1)21-8-3-16(11-21)12-22(9-10-23-13-16)15-19-6-2-7-20-15/h1-2,4-7H,3,8-13H2/t16-/m0/s1.
What are the key properties of (5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 312.38 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97385039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).