(6R)-2-[(1-methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

C18H26N6O — CID 97398104

IUPAC(6R)-2-[(1-methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCn1ccnc1CN1CCC[C@@]2(COCCN(c3ncccn3)C2)C1
InChIInChI=1S/C18H26N6O/c1-22-9-7-19-16(22)12-23-8-2-4-18(13-23)14-24(10-11-25-15-18)17-20-5-3-6-21-17/h3,5-7,9H,2,4,8,10-15H2,1H3/t18-/m1/s1
InChIKeyRVBPUQXAXKQTHN-GOSISDBHSA-N
MW342.45 g/mol
LogP1.33
Rot. Bonds3

About (6R)-2-[(1-methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

(6R)-2-[(1-methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 97398104) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is (6R)-2-[(1-methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6R)-2-[(1-methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID97398104
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name(6R)-2-[(1-methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCn1ccnc1CN1CCC[C@@]2(COCCN(c3ncccn3)C2)C1
InChIInChI=1S/C18H26N6O/c1-22-9-7-19-16(22)12-23-8-2-4-18(13-23)14-24(10-11-25-15-18)17-20-5-3-6-21-17/h3,5-7,9H,2,4,8,10-15H2,1H3/t18-/m1/s1
InChIKeyRVBPUQXAXKQTHN-GOSISDBHSA-N
XLogP1.33
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(1-Methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97399490
3-Pyrazin-2-yl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97399491
N-[[(3S,3aR,7aR)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine
CID 97460042
11-(5-Fluoropyrimidin-2-yl)-2-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118739193
3-(Methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118743452
11-(Cyclopropylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118743550
2-(Oxan-4-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118746140
10-(Oxan-4-ylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746905
5-fluoro-2-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-N,N-dimethylpyrimidin-4-amine
CID 72897039
5-fluoro-2-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 97278798
5-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 97278799
4-(5-Fluoropyrimidin-2-yl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97451012

Frequently Asked Questions

What is the IUPAC name of (6R)-2-[(1-methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of (6R)-2-[(1-methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 97398104) is (6R)-2-[(1-methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6R)-2-[(1-methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for (6R)-2-[(1-methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is Cn1ccnc1CN1CCC[C@@]2(COCCN(c3ncccn3)C2)C1.
What is the InChIKey of (6R)-2-[(1-methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is RVBPUQXAXKQTHN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N6O/c1-22-9-7-19-16(22)12-23-8-2-4-18(13-23)14-24(10-11-25-15-18)17-20-5-3-6-21-17/h3,5-7,9H,2,4,8,10-15H2,1H3/t18-/m1/s1.
What are the key properties of (6R)-2-[(1-methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
(6R)-2-[(1-methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 342.45 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-[(1-methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97398104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).