4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

C19H28N4O3 — CID 137420172

IUPAC4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESCCOc1ncc(C2CCC(O)CC2)c2nc(N[C@@H](C)COC)ncc12
InChIInChI=1S/C19H28N4O3/c1-4-26-18-16-10-21-19(22-12(2)11-25-3)23-17(16)15(9-20-18)13-5-7-14(24)8-6-13/h9-10,12-14,24H,4-8,11H2,1-3H3,(H,21,22,23)/t12-,13?,14?/m0/s1
InChIKeyVXXCYLCCNDGVKG-HSBZDZAISA-N
MW360.46 g/mol
LogP2.89
Rot. Bonds7

About 4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (PubChem CID 137420172) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
PubChem CID137420172
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESCCOc1ncc(C2CCC(O)CC2)c2nc(N[C@@H](C)COC)ncc12
InChIInChI=1S/C19H28N4O3/c1-4-26-18-16-10-21-19(22-12(2)11-25-3)23-17(16)15(9-20-18)13-5-7-14(24)8-6-13/h9-10,12-14,24H,4-8,11H2,1-3H3,(H,21,22,23)/t12-,13?,14?/m0/s1
InChIKeyVXXCYLCCNDGVKG-HSBZDZAISA-N
XLogP2.89
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The IUPAC name of 4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (CID 137420172) is 4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is CCOc1ncc(C2CCC(O)CC2)c2nc(N[C@@H](C)COC)ncc12.
What is the InChIKey of 4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The InChIKey is VXXCYLCCNDGVKG-HSBZDZAISA-N. The full InChI is InChI=1S/C19H28N4O3/c1-4-26-18-16-10-21-19(22-12(2)11-25-3)23-17(16)15(9-20-18)13-5-7-14(24)8-6-13/h9-10,12-14,24H,4-8,11H2,1-3H3,(H,21,22,23)/t12-,13?,14?/m0/s1.
What are the key properties of 4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol has a molecular weight of 360.46 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is sourced from PubChem (CID 137420172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).