(5R)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C18H29N5O3 — CID 97188747

About (5R)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97188747) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (5R)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: (5R)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 97188747
• Molecular Formula: C18H29N5O3
• Molecular Weight: 363.46 g/mol
• Exact Mass: 363.23
• IUPAC Name: (5R)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• SMILES: COCCN1CCC[C@]2(CCN(c3cc(OC(C)C)nc(N)n3)C2)C1=O
• InChI: InChI=1S/C18H29N5O3/c1-13(2)26-15-11-14(20-17(19)21-15)23-8-6-18(12-23)5-4-7-22(16(18)24)9-10-25-3/h11,13H,4-10,12H2,1-3H3,(H2,19,20,21)/t18-/m1/s1
• InChIKey: SSBYVUWVDNSSDD-GOSISDBHSA-N
• XLogP: 1.31
• TPSA: 93.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.46
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of (5R)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97188747) is (5R)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for (5R)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for (5R)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCC[C@]2(CCN(c3cc(OC(C)C)nc(N)n3)C2)C1=O.

What is the InChIKey of (5R)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is SSBYVUWVDNSSDD-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-13(2)26-15-11-14(20-17(19)21-15)23-8-6-18(12-23)5-4-7-22(16(18)24)9-10-25-3/h11,13H,4-10,12H2,1-3H3,(H2,19,20,21)/t18-/m1/s1.

What are the key properties of (5R)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?

(5R)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 363.46 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97188747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).