3-[6-(propan-2-ylamino)pyrimidin-4-yl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

C16H25N5O2 — CID 154819123

IUPAC3-[6-(propan-2-ylamino)pyrimidin-4-yl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESCC(C)Nc1cc(N2CCC3(CC2)CNC(=O)CCO3)ncn1
InChIInChI=1S/C16H25N5O2/c1-12(2)20-13-9-14(19-11-18-13)21-6-4-16(5-7-21)10-17-15(22)3-8-23-16/h9,11-12H,3-8,10H2,1-2H3,(H,17,22)(H,18,19,20)
InChIKeyCEWCYBJPRNEEFG-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.17
Rot. Bonds3

About 3-[6-(propan-2-ylamino)pyrimidin-4-yl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

3-[6-(propan-2-ylamino)pyrimidin-4-yl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (PubChem CID 154819123) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[6-(propan-2-ylamino)pyrimidin-4-yl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.

Molecular Properties

Compound Name3-[6-(propan-2-ylamino)pyrimidin-4-yl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
PubChem CID154819123
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name3-[6-(propan-2-ylamino)pyrimidin-4-yl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESCC(C)Nc1cc(N2CCC3(CC2)CNC(=O)CCO3)ncn1
InChIInChI=1S/C16H25N5O2/c1-12(2)20-13-9-14(19-11-18-13)21-6-4-16(5-7-21)10-17-15(22)3-8-23-16/h9,11-12H,3-8,10H2,1-2H3,(H,17,22)(H,18,19,20)
InChIKeyCEWCYBJPRNEEFG-UHFFFAOYSA-N
XLogP1.17
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(propan-2-ylamino)pyrimidin-4-yl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The IUPAC name of 3-[6-(propan-2-ylamino)pyrimidin-4-yl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (CID 154819123) is 3-[6-(propan-2-ylamino)pyrimidin-4-yl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.
What is the SMILES notation for 3-[6-(propan-2-ylamino)pyrimidin-4-yl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The canonical SMILES for 3-[6-(propan-2-ylamino)pyrimidin-4-yl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is CC(C)Nc1cc(N2CCC3(CC2)CNC(=O)CCO3)ncn1.
What is the InChIKey of 3-[6-(propan-2-ylamino)pyrimidin-4-yl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The InChIKey is CEWCYBJPRNEEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-12(2)20-13-9-14(19-11-18-13)21-6-4-16(5-7-21)10-17-15(22)3-8-23-16/h9,11-12H,3-8,10H2,1-2H3,(H,17,22)(H,18,19,20).
What are the key properties of 3-[6-(propan-2-ylamino)pyrimidin-4-yl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
3-[6-(propan-2-ylamino)pyrimidin-4-yl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one has a molecular weight of 319.41 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(propan-2-ylamino)pyrimidin-4-yl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is sourced from PubChem (CID 154819123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).