(5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

C20H26N4O2 — CID 97385034

IUPAC(5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCOc1ccc(CN2CCOC[C@]3(CCN(c4ncccn4)C3)C2)cc1
InChIInChI=1S/C20H26N4O2/c1-25-18-5-3-17(4-6-18)13-23-11-12-26-16-20(14-23)7-10-24(15-20)19-21-8-2-9-22-19/h2-6,8-9H,7,10-16H2,1H3/t20-/m1/s1
InChIKeyKPOXHPLOKUFXOT-HXUWFJFHSA-N
MW354.45 g/mol
LogP2.21
Rot. Bonds4

About (5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

(5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97385034) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97385034
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCOc1ccc(CN2CCOC[C@]3(CCN(c4ncccn4)C3)C2)cc1
InChIInChI=1S/C20H26N4O2/c1-25-18-5-3-17(4-6-18)13-23-11-12-26-16-20(14-23)7-10-24(15-20)19-21-8-2-9-22-19/h2-6,8-9H,7,10-16H2,1H3/t20-/m1/s1
InChIKeyKPOXHPLOKUFXOT-HXUWFJFHSA-N
XLogP2.21
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane with MolForge

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Related Compounds

(6S)-2-[(4-methoxyphenyl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494777
2-[(4-methoxyphenyl)methyl]-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449653
10-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131660491
(5S)-2-pyrimidin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472314
(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385039
(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472318
10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131649078
(5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384999
10-[(5-methylfuran-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155825045
11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131652756
(6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494953
7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 118745159

Frequently Asked Questions

What is the IUPAC name of (5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97385034) is (5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is COc1ccc(CN2CCOC[C@]3(CCN(c4ncccn4)C3)C2)cc1.
What is the InChIKey of (5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is KPOXHPLOKUFXOT-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-25-18-5-3-17(4-6-18)13-23-11-12-26-16-20(14-23)7-10-24(15-20)19-21-8-2-9-22-19/h2-6,8-9H,7,10-16H2,1H3/t20-/m1/s1.
What are the key properties of (5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
(5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 354.45 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97385034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).