4-[5-ethoxy-2-[(2R)-3-methoxy-2-methylpropyl]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

C20H29N3O3 — CID 162058042

IUPAC4-[5-ethoxy-2-[(2R)-3-methoxy-2-methylpropyl]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESCCOc1ncc(C2CCC(O)CC2)c2nc(C[C@@H](C)COC)ncc12
InChIInChI=1S/C20H29N3O3/c1-4-26-20-17-11-21-18(9-13(2)12-25-3)23-19(17)16(10-22-20)14-5-7-15(24)8-6-14/h10-11,13-15,24H,4-9,12H2,1-3H3/t13-,14?,15?/m1/s1
InChIKeyYZLGZMTWTFXAIJ-WLYUNCDWSA-N
MW359.47 g/mol
LogP3.27
Rot. Bonds7

About 4-[5-ethoxy-2-[(2R)-3-methoxy-2-methylpropyl]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

4-[5-ethoxy-2-[(2R)-3-methoxy-2-methylpropyl]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (PubChem CID 162058042) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[5-ethoxy-2-[(2R)-3-methoxy-2-methylpropyl]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[5-ethoxy-2-[(2R)-3-methoxy-2-methylpropyl]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
PubChem CID162058042
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name4-[5-ethoxy-2-[(2R)-3-methoxy-2-methylpropyl]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESCCOc1ncc(C2CCC(O)CC2)c2nc(C[C@@H](C)COC)ncc12
InChIInChI=1S/C20H29N3O3/c1-4-26-20-17-11-21-18(9-13(2)12-25-3)23-19(17)16(10-22-20)14-5-7-15(24)8-6-14/h10-11,13-15,24H,4-9,12H2,1-3H3/t13-,14?,15?/m1/s1
InChIKeyYZLGZMTWTFXAIJ-WLYUNCDWSA-N
XLogP3.27
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-ethoxy-2-[(2R)-3-methoxy-2-methylpropyl]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The IUPAC name of 4-[5-ethoxy-2-[(2R)-3-methoxy-2-methylpropyl]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (CID 162058042) is 4-[5-ethoxy-2-[(2R)-3-methoxy-2-methylpropyl]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[5-ethoxy-2-[(2R)-3-methoxy-2-methylpropyl]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[5-ethoxy-2-[(2R)-3-methoxy-2-methylpropyl]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is CCOc1ncc(C2CCC(O)CC2)c2nc(C[C@@H](C)COC)ncc12.
What is the InChIKey of 4-[5-ethoxy-2-[(2R)-3-methoxy-2-methylpropyl]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The InChIKey is YZLGZMTWTFXAIJ-WLYUNCDWSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-26-20-17-11-21-18(9-13(2)12-25-3)23-19(17)16(10-22-20)14-5-7-15(24)8-6-14/h10-11,13-15,24H,4-9,12H2,1-3H3/t13-,14?,15?/m1/s1.
What are the key properties of 4-[5-ethoxy-2-[(2R)-3-methoxy-2-methylpropyl]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
4-[5-ethoxy-2-[(2R)-3-methoxy-2-methylpropyl]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol has a molecular weight of 359.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-ethoxy-2-[(2R)-3-methoxy-2-methylpropyl]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is sourced from PubChem (CID 162058042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).