9-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one

C18H27N5O4 — CID 136803217

About 9-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one

9-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 136803217) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is 9-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 136803217
• Molecular Formula: C18H27N5O4
• Molecular Weight: 377.45 g/mol
• Exact Mass: 377.21
• IUPAC Name: 9-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: C[C@H](O)CN1CC2(CCC1=O)CCN(C(=O)Cc1cc(=O)[nH]c(N)n1)CC2
• InChI: InChI=1S/C18H27N5O4/c1-12(24)10-23-11-18(3-2-15(23)26)4-6-22(7-5-18)16(27)9-13-8-14(25)21-17(19)20-13/h8,12,24H,2-7,9-11H2,1H3,(H3,19,20,21,25)/t12-/m0/s1
• InChIKey: ISPFJQCCRBQOOE-LBPRGKRZSA-N
• XLogP: -0.49
• TPSA: 132.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.45
LogP ≤ 5	-0.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 9-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 136803217) is 9-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 9-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 9-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one is C[C@H](O)CN1CC2(CCC1=O)CCN(C(=O)Cc1cc(=O)[nH]c(N)n1)CC2.

What is the InChIKey of 9-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is ISPFJQCCRBQOOE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-12(24)10-23-11-18(3-2-15(23)26)4-6-22(7-5-18)16(27)9-13-8-14(25)21-17(19)20-13/h8,12,24H,2-7,9-11H2,1H3,(H3,19,20,21,25)/t12-/m0/s1.

What are the key properties of 9-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one?

9-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 377.45 g/mol, XLogP of -0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 136803217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).