[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone

C16H20N6O3 — CID 131643119

IUPAC[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
SMILESCOCCNc1ccnc(C2COCCN2C(=O)c2ccnnc2)n1
InChIInChI=1S/C16H20N6O3/c1-24-8-6-17-14-3-4-18-15(21-14)13-11-25-9-7-22(13)16(23)12-2-5-19-20-10-12/h2-5,10,13H,6-9,11H2,1H3,(H,17,18,21)
InChIKeyRHGRLSLEIZZIFD-UHFFFAOYSA-N
MW344.38 g/mol
LogP0.54
Rot. Bonds6

About [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone

[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone (PubChem CID 131643119) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
PubChem CID131643119
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
SMILESCOCCNc1ccnc(C2COCCN2C(=O)c2ccnnc2)n1
InChIInChI=1S/C16H20N6O3/c1-24-8-6-17-14-3-4-18-15(21-14)13-11-25-9-7-22(13)16(23)12-2-5-19-20-10-12/h2-5,10,13H,6-9,11H2,1H3,(H,17,18,21)
InChIKeyRHGRLSLEIZZIFD-UHFFFAOYSA-N
XLogP0.54
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 97486030
2-(4-cyclopropylsulfonylmorpholin-3-yl)-N-(2-methoxyethyl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 155836444
N-(2-methoxyethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155840150
N-(2-methoxyethyl)-2-[(3S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 97487347
phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone
CID 133140572
[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 97486330
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 110132433
[(3S)-3-[2-(cyclobutylmethylamino)-1,3-thiazol-4-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 97487529
[(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 97483143
[(3R)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 97483141
2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131644550
[(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 97485514

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone (CID 131643119) is [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone is COCCNc1ccnc(C2COCCN2C(=O)c2ccnnc2)n1.
What is the InChIKey of [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone?
The InChIKey is RHGRLSLEIZZIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-24-8-6-17-14-3-4-18-15(21-14)13-11-25-9-7-22(13)16(23)12-2-5-19-20-10-12/h2-5,10,13H,6-9,11H2,1H3,(H,17,18,21).
What are the key properties of [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone?
[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone has a molecular weight of 344.38 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 131643119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).