(5S)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-7-oxa-2-azaspiro[4.5]decane

C16H25N3O — CID 164630642

IUPAC(5S)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-7-oxa-2-azaspiro[4.5]decane
SMILESCc1cc(N2CC[C@@]3(CCCOC3)C2)nc(C(C)C)n1
InChIInChI=1S/C16H25N3O/c1-12(2)15-17-13(3)9-14(18-15)19-7-6-16(10-19)5-4-8-20-11-16/h9,12H,4-8,10-11H2,1-3H3/t16-/m0/s1
InChIKeyNYQSEGOSLPJJOP-INIZCTEOSA-N
MW275.40 g/mol
LogP2.92
Rot. Bonds2

About (5S)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-7-oxa-2-azaspiro[4.5]decane

(5S)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-7-oxa-2-azaspiro[4.5]decane (PubChem CID 164630642) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (5S)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-7-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-7-oxa-2-azaspiro[4.5]decane
PubChem CID164630642
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(5S)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-7-oxa-2-azaspiro[4.5]decane
SMILESCc1cc(N2CC[C@@]3(CCCOC3)C2)nc(C(C)C)n1
InChIInChI=1S/C16H25N3O/c1-12(2)15-17-13(3)9-14(18-15)19-7-6-16(10-19)5-4-8-20-11-16/h9,12H,4-8,10-11H2,1-3H3/t16-/m0/s1
InChIKeyNYQSEGOSLPJJOP-INIZCTEOSA-N
XLogP2.92
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2,5,6-Trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 71969218
4,6-Dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine
CID 110271060
5-(2-Cyclopropyl-6-methylpyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 121020715
N,2-dimethyl-N-(1-methylpiperidin-4-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126429146
2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine
CID 126431696
4-(4-methoxypiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
CID 126434757
2-(2-Ethyl-6-methylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decane
CID 126827005
N,N-dimethyl-2-[(5S)-7-oxa-2-azaspiro[4.5]decan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 164632020
(4R)-2-(2,6-dimethylpyrimidin-4-yl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine
CID 164634257
8-[6-Isopropyl-2-(trifluoromethyl)-4-pyrimidinyl]-1-oxa-8-azaspiro[4.5]decane
CID 56880549
2-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562631
4-N-methyl-4-N-(oxan-3-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565095

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-7-oxa-2-azaspiro[4.5]decane?
The IUPAC name of (5S)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-7-oxa-2-azaspiro[4.5]decane (CID 164630642) is (5S)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-7-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for (5S)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-7-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for (5S)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-7-oxa-2-azaspiro[4.5]decane is Cc1cc(N2CC[C@@]3(CCCOC3)C2)nc(C(C)C)n1.
What is the InChIKey of (5S)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-7-oxa-2-azaspiro[4.5]decane?
The InChIKey is NYQSEGOSLPJJOP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)15-17-13(3)9-14(18-15)19-7-6-16(10-19)5-4-8-20-11-16/h9,12H,4-8,10-11H2,1-3H3/t16-/m0/s1.
What are the key properties of (5S)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-7-oxa-2-azaspiro[4.5]decane?
(5S)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-7-oxa-2-azaspiro[4.5]decane has a molecular weight of 275.40 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-7-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 164630642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).