8-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine

C24H34N4O5 — CID 137409168

IUPAC8-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
SMILESCOCC(C)Nc1ncc2c(OC3CCOCC3)ncc(C3CCC4(CC3)OCCO4)c2n1
InChIInChI=1S/C24H34N4O5/c1-16(15-29-2)27-23-26-14-20-21(28-23)19(13-25-22(20)33-18-5-9-30-10-6-18)17-3-7-24(8-4-17)31-11-12-32-24/h13-14,16-18H,3-12,15H2,1-2H3,(H,26,27,28)
InChIKeyVYUNQMQHGSJWOA-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.43
Rot. Bonds7

About 8-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine

8-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 137409168) has the molecular formula C24H34N4O5 and a molecular weight of 458.56 g/mol. Its IUPAC name is 8-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
PubChem CID137409168
Molecular FormulaC24H34N4O5
Molecular Weight458.56 g/mol
Exact Mass458.25
IUPAC Name8-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
SMILESCOCC(C)Nc1ncc2c(OC3CCOCC3)ncc(C3CCC4(CC3)OCCO4)c2n1
InChIInChI=1S/C24H34N4O5/c1-16(15-29-2)27-23-26-14-20-21(28-23)19(13-25-22(20)33-18-5-9-30-10-6-18)17-3-7-24(8-4-17)31-11-12-32-24/h13-14,16-18H,3-12,15H2,1-2H3,(H,26,27,28)
InChIKeyVYUNQMQHGSJWOA-UHFFFAOYSA-N
XLogP3.43
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 8-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine (CID 137409168) is 8-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 8-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 8-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine is COCC(C)Nc1ncc2c(OC3CCOCC3)ncc(C3CCC4(CC3)OCCO4)c2n1.
What is the InChIKey of 8-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is VYUNQMQHGSJWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5/c1-16(15-29-2)27-23-26-14-20-21(28-23)19(13-25-22(20)33-18-5-9-30-10-6-18)17-3-7-24(8-4-17)31-11-12-32-24/h13-14,16-18H,3-12,15H2,1-2H3,(H,26,27,28).
What are the key properties of 8-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine?
8-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 458.56 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 137409168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).