(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

C17H24N6O — CID 97472318

IUPAC(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCn1ccnc1CN1CCOC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C17H24N6O/c1-21-8-6-18-15(21)11-22-9-10-24-14-17(12-22)3-7-23(13-17)16-19-4-2-5-20-16/h2,4-6,8H,3,7,9-14H2,1H3/t17-/m0/s1
InChIKeyHCFRVCNSHAUYIC-KRWDZBQOSA-N
MW328.42 g/mol
LogP0.94
Rot. Bonds3

About (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97472318) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97472318
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCn1ccnc1CN1CCOC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C17H24N6O/c1-21-8-6-18-15(21)11-22-9-10-24-14-17(12-22)3-7-23(13-17)16-19-4-2-5-20-16/h2,4-6,8H,3,7,9-14H2,1H3/t17-/m0/s1
InChIKeyHCFRVCNSHAUYIC-KRWDZBQOSA-N
XLogP0.94
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131649078
(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472267
(5S)-2-[(1-methylimidazol-2-yl)methyl]-10-(5-methylpyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472103
2-[(1-methylimidazol-2-yl)methyl]-10-(5-methylpyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155846787
10-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131660491
(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385039
(5S)-10-[(5-methylfuran-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384880
(5S)-2-pyrimidin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472314
(5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385034
6-[(6S)-2-[(1-methylimidazol-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile
CID 97494753
11-(3-fluorophenyl)-2-[(1-methylimidazol-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 155856750
11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131652756

Frequently Asked Questions

What is the IUPAC name of (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97472318) is (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is Cn1ccnc1CN1CCOC[C@@]2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is HCFRVCNSHAUYIC-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N6O/c1-21-8-6-18-15(21)11-22-9-10-24-14-17(12-22)3-7-23(13-17)16-19-4-2-5-20-16/h2,4-6,8H,3,7,9-14H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 328.42 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97472318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).