2-methyl-5-[(2R)-2-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)ethyl]morpholin-4-yl]pyridazin-3-one

C18H25N7O2 — CID 95216782

IUPAC2-methyl-5-[(2R)-2-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)ethyl]morpholin-4-yl]pyridazin-3-one
SMILESCn1ncc(N2CCO[C@H](CCNc3ncnc4c3CCNC4)C2)cc1=O
InChIInChI=1S/C18H25N7O2/c1-24-17(26)8-13(9-23-24)25-6-7-27-14(11-25)2-5-20-18-15-3-4-19-10-16(15)21-12-22-18/h8-9,12,14,19H,2-7,10-11H2,1H3,(H,20,21,22)/t14-/m1/s1
InChIKeyAKPXEFNQFSOCJG-CQSZACIVSA-N
MW371.45 g/mol
LogP-0.08
Rot. Bonds5

About 2-methyl-5-[(2R)-2-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)ethyl]morpholin-4-yl]pyridazin-3-one

2-methyl-5-[(2R)-2-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)ethyl]morpholin-4-yl]pyridazin-3-one (PubChem CID 95216782) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-methyl-5-[(2R)-2-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)ethyl]morpholin-4-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[(2R)-2-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)ethyl]morpholin-4-yl]pyridazin-3-one
PubChem CID95216782
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name2-methyl-5-[(2R)-2-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)ethyl]morpholin-4-yl]pyridazin-3-one
SMILESCn1ncc(N2CCO[C@H](CCNc3ncnc4c3CCNC4)C2)cc1=O
InChIInChI=1S/C18H25N7O2/c1-24-17(26)8-13(9-23-24)25-6-7-27-14(11-25)2-5-20-18-15-3-4-19-10-16(15)21-12-22-18/h8-9,12,14,19H,2-7,10-11H2,1H3,(H,20,21,22)/t14-/m1/s1
InChIKeyAKPXEFNQFSOCJG-CQSZACIVSA-N
XLogP-0.08
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2R)-2-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)ethyl]morpholin-4-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[(2R)-2-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)ethyl]morpholin-4-yl]pyridazin-3-one (CID 95216782) is 2-methyl-5-[(2R)-2-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)ethyl]morpholin-4-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[(2R)-2-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)ethyl]morpholin-4-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[(2R)-2-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)ethyl]morpholin-4-yl]pyridazin-3-one is Cn1ncc(N2CCO[C@H](CCNc3ncnc4c3CCNC4)C2)cc1=O.
What is the InChIKey of 2-methyl-5-[(2R)-2-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)ethyl]morpholin-4-yl]pyridazin-3-one?
The InChIKey is AKPXEFNQFSOCJG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-24-17(26)8-13(9-23-24)25-6-7-27-14(11-25)2-5-20-18-15-3-4-19-10-16(15)21-12-22-18/h8-9,12,14,19H,2-7,10-11H2,1H3,(H,20,21,22)/t14-/m1/s1.
What are the key properties of 2-methyl-5-[(2R)-2-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)ethyl]morpholin-4-yl]pyridazin-3-one?
2-methyl-5-[(2R)-2-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)ethyl]morpholin-4-yl]pyridazin-3-one has a molecular weight of 371.45 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2R)-2-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)ethyl]morpholin-4-yl]pyridazin-3-one is sourced from PubChem (CID 95216782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).