4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one

C18H20N4O3 — CID 137267408

IUPAC4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NC(CCO)c3ccco3)nc2)n1
InChIInChI=1S/C18H20N4O3/c1-2-13-10-17(24)22-18(20-13)12-5-6-16(19-11-12)21-14(7-8-23)15-4-3-9-25-15/h3-6,9-11,14,23H,2,7-8H2,1H3,(H,19,21)(H,20,22,24)
InChIKeySZEINFQLDQXOFF-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.52
Rot. Bonds7

About 4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one

4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137267408) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137267408
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NC(CCO)c3ccco3)nc2)n1
InChIInChI=1S/C18H20N4O3/c1-2-13-10-17(24)22-18(20-13)12-5-6-16(19-11-12)21-14(7-8-23)15-4-3-9-25-15/h3-6,9-11,14,23H,2,7-8H2,1H3,(H,19,21)(H,20,22,24)
InChIKeySZEINFQLDQXOFF-UHFFFAOYSA-N
XLogP2.52
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one (CID 137267408) is 4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(NC(CCO)c3ccco3)nc2)n1.
What is the InChIKey of 4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is SZEINFQLDQXOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-2-13-10-17(24)22-18(20-13)12-5-6-16(19-11-12)21-14(7-8-23)15-4-3-9-25-15/h3-6,9-11,14,23H,2,7-8H2,1H3,(H,19,21)(H,20,22,24).
What are the key properties of 4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one?
4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 340.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137267408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).