4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

C21H31N5O2 — CID 155120004

IUPAC4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESCC(C)Nc1ncc2c(OC3CCNCC3)ncc(C3CCC(O)CC3)c2n1
InChIInChI=1S/C21H31N5O2/c1-13(2)25-21-24-12-18-19(26-21)17(14-3-5-15(27)6-4-14)11-23-20(18)28-16-7-9-22-10-8-16/h11-16,22,27H,3-10H2,1-2H3,(H,24,25,26)
InChIKeyQHTOTKSUTDDBMP-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.99
Rot. Bonds5

About 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (PubChem CID 155120004) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
PubChem CID155120004
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESCC(C)Nc1ncc2c(OC3CCNCC3)ncc(C3CCC(O)CC3)c2n1
InChIInChI=1S/C21H31N5O2/c1-13(2)25-21-24-12-18-19(26-21)17(14-3-5-15(27)6-4-14)11-23-20(18)28-16-7-9-22-10-8-16/h11-16,22,27H,3-10H2,1-2H3,(H,24,25,26)
InChIKeyQHTOTKSUTDDBMP-UHFFFAOYSA-N
XLogP2.99
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The IUPAC name of 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (CID 155120004) is 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is CC(C)Nc1ncc2c(OC3CCNCC3)ncc(C3CCC(O)CC3)c2n1.
What is the InChIKey of 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The InChIKey is QHTOTKSUTDDBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-13(2)25-21-24-12-18-19(26-21)17(14-3-5-15(27)6-4-14)11-23-20(18)28-16-7-9-22-10-8-16/h11-16,22,27H,3-10H2,1-2H3,(H,24,25,26).
What are the key properties of 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol has a molecular weight of 385.51 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is sourced from PubChem (CID 155120004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).