4-ethyl-2-[6-(1-morpholin-4-ylpropan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one

C18H25N5O2 — CID 136666760

IUPAC4-ethyl-2-[6-(1-morpholin-4-ylpropan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NC(C)CN3CCOCC3)nc2)n1
InChIInChI=1S/C18H25N5O2/c1-3-15-10-17(24)22-18(21-15)14-4-5-16(19-11-14)20-13(2)12-23-6-8-25-9-7-23/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,19,20)(H,21,22,24)
InChIKeyZIGWRQXKHHXILL-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.53
Rot. Bonds6

About 4-ethyl-2-[6-(1-morpholin-4-ylpropan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one

4-ethyl-2-[6-(1-morpholin-4-ylpropan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 136666760) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-ethyl-2-[6-(1-morpholin-4-ylpropan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[6-(1-morpholin-4-ylpropan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID136666760
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-ethyl-2-[6-(1-morpholin-4-ylpropan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NC(C)CN3CCOCC3)nc2)n1
InChIInChI=1S/C18H25N5O2/c1-3-15-10-17(24)22-18(21-15)14-4-5-16(19-11-14)20-13(2)12-23-6-8-25-9-7-23/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,19,20)(H,21,22,24)
InChIKeyZIGWRQXKHHXILL-UHFFFAOYSA-N
XLogP1.53
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[6-(1-morpholin-4-ylpropan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[6-(1-morpholin-4-ylpropan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one (CID 136666760) is 4-ethyl-2-[6-(1-morpholin-4-ylpropan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[6-(1-morpholin-4-ylpropan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[6-(1-morpholin-4-ylpropan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(NC(C)CN3CCOCC3)nc2)n1.
What is the InChIKey of 4-ethyl-2-[6-(1-morpholin-4-ylpropan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is ZIGWRQXKHHXILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-15-10-17(24)22-18(21-15)14-4-5-16(19-11-14)20-13(2)12-23-6-8-25-9-7-23/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,19,20)(H,21,22,24).
What are the key properties of 4-ethyl-2-[6-(1-morpholin-4-ylpropan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one?
4-ethyl-2-[6-(1-morpholin-4-ylpropan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 343.43 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[6-(1-morpholin-4-ylpropan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136666760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).