2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine

C16H25N3O2 — CID 97234627

IUPAC2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine
SMILESCOCc1nc(C)cc(N[C@H]2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C16H25N3O2/c1-12-9-14(19-15(17-12)11-20-2)18-13-5-8-21-16(10-13)6-3-4-7-16/h9,13H,3-8,10-11H2,1-2H3,(H,17,18,19)/t13-/m0/s1
InChIKeyOJGWZBFFXKODDW-ZDUSSCGKSA-N
MW291.40 g/mol
LogP2.84
Rot. Bonds4

About 2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine

2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine (PubChem CID 97234627) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine
PubChem CID97234627
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine
SMILESCOCc1nc(C)cc(N[C@H]2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C16H25N3O2/c1-12-9-14(19-15(17-12)11-20-2)18-13-5-8-21-16(10-13)6-3-4-7-16/h9,13H,3-8,10-11H2,1-2H3,(H,17,18,19)/t13-/m0/s1
InChIKeyOJGWZBFFXKODDW-ZDUSSCGKSA-N
XLogP2.84
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine with MolForge

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Related Compounds

2-(methoxymethyl)-6-methyl-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]pyrimidin-4-amine
CID 98559254
N-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine
CID 79895159
6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
CID 133421176
6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine
CID 98559250
4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine
CID 97234618
6-methyl-2-(3-nitrophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
CID 133378040
N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79901606
N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 136529582
1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione
CID 133417652
N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898455
N-(3-chloro-4-methoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79898004
8-fluoro-2-methyl-N-(6-oxaspiro[4.5]decan-9-yl)quinolin-4-amine
CID 133377639

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine (CID 97234627) is 2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine is COCc1nc(C)cc(N[C@H]2CCOC3(CCCC3)C2)n1.
What is the InChIKey of 2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine?
The InChIKey is OJGWZBFFXKODDW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-9-14(19-15(17-12)11-20-2)18-13-5-8-21-16(10-13)6-3-4-7-16/h9,13H,3-8,10-11H2,1-2H3,(H,17,18,19)/t13-/m0/s1.
What are the key properties of 2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine?
2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine has a molecular weight of 291.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine is sourced from PubChem (CID 97234627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).