6-(2-methylpropyl)-N-[(2S)-6-oxaspiro[2.5]octan-2-yl]pyrimidin-4-amine

C15H23N3O — CID 164642376

IUPAC6-(2-methylpropyl)-N-[(2S)-6-oxaspiro[2.5]octan-2-yl]pyrimidin-4-amine
SMILESCC(C)Cc1cc(N[C@H]2CC23CCOCC3)ncn1
InChIInChI=1S/C15H23N3O/c1-11(2)7-12-8-14(17-10-16-12)18-13-9-15(13)3-5-19-6-4-15/h8,10-11,13H,3-7,9H2,1-2H3,(H,16,17,18)/t13-/m0/s1
InChIKeyYZQHKMYCRDFWRT-ZDUSSCGKSA-N
MW261.37 g/mol
LogP2.66
Rot. Bonds4

About 6-(2-methylpropyl)-N-[(2S)-6-oxaspiro[2.5]octan-2-yl]pyrimidin-4-amine

6-(2-methylpropyl)-N-[(2S)-6-oxaspiro[2.5]octan-2-yl]pyrimidin-4-amine (PubChem CID 164642376) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-(2-methylpropyl)-N-[(2S)-6-oxaspiro[2.5]octan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylpropyl)-N-[(2S)-6-oxaspiro[2.5]octan-2-yl]pyrimidin-4-amine
PubChem CID164642376
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name6-(2-methylpropyl)-N-[(2S)-6-oxaspiro[2.5]octan-2-yl]pyrimidin-4-amine
SMILESCC(C)Cc1cc(N[C@H]2CC23CCOCC3)ncn1
InChIInChI=1S/C15H23N3O/c1-11(2)7-12-8-14(17-10-16-12)18-13-9-15(13)3-5-19-6-4-15/h8,10-11,13H,3-7,9H2,1-2H3,(H,16,17,18)/t13-/m0/s1
InChIKeyYZQHKMYCRDFWRT-ZDUSSCGKSA-N
XLogP2.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-N-[(2S)-6-oxaspiro[2.5]octan-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-(2-methylpropyl)-N-[(2S)-6-oxaspiro[2.5]octan-2-yl]pyrimidin-4-amine (CID 164642376) is 6-(2-methylpropyl)-N-[(2S)-6-oxaspiro[2.5]octan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylpropyl)-N-[(2S)-6-oxaspiro[2.5]octan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-methylpropyl)-N-[(2S)-6-oxaspiro[2.5]octan-2-yl]pyrimidin-4-amine is CC(C)Cc1cc(N[C@H]2CC23CCOCC3)ncn1.
What is the InChIKey of 6-(2-methylpropyl)-N-[(2S)-6-oxaspiro[2.5]octan-2-yl]pyrimidin-4-amine?
The InChIKey is YZQHKMYCRDFWRT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)7-12-8-14(17-10-16-12)18-13-9-15(13)3-5-19-6-4-15/h8,10-11,13H,3-7,9H2,1-2H3,(H,16,17,18)/t13-/m0/s1.
What are the key properties of 6-(2-methylpropyl)-N-[(2S)-6-oxaspiro[2.5]octan-2-yl]pyrimidin-4-amine?
6-(2-methylpropyl)-N-[(2S)-6-oxaspiro[2.5]octan-2-yl]pyrimidin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-N-[(2S)-6-oxaspiro[2.5]octan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 164642376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).