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

C18H29N5O3 — CID 97188747

IUPAC(5R)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@]2(CCN(c3cc(OC(C)C)nc(N)n3)C2)C1=O
InChIInChI=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
InChIKeySSBYVUWVDNSSDD-GOSISDBHSA-N
MW363.46 g/mol
LogP1.31
Rot. Bonds6

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 CID97188747
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name(5R)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@]2(CCN(c3cc(OC(C)C)nc(N)n3)C2)C1=O
InChIInChI=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
InChIKeySSBYVUWVDNSSDD-GOSISDBHSA-N
XLogP1.31
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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).