1-(cyclopropylmethyl)-5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridin-2-one

C21H18N6O2 — CID 16720104

IUPAC1-(cyclopropylmethyl)-5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridin-2-one
SMILESO=c1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1CC1CC1
InChIInChI=1S/C21H18N6O2/c28-19-6-5-15(12-27(19)11-14-3-4-14)25-21-23-10-16(17-7-8-22-13-24-17)20(26-21)18-2-1-9-29-18/h1-2,5-10,12-14H,3-4,11H2,(H,23,25,26)
InChIKeyKFXYTFPWHUKNNC-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.51
Rot. Bonds6

About 1-(cyclopropylmethyl)-5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridin-2-one

1-(cyclopropylmethyl)-5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridin-2-one (PubChem CID 16720104) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridin-2-one
PubChem CID16720104
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name1-(cyclopropylmethyl)-5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridin-2-one
SMILESO=c1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1CC1CC1
InChIInChI=1S/C21H18N6O2/c28-19-6-5-15(12-27(19)11-14-3-4-14)25-21-23-10-16(17-7-8-22-13-24-17)20(26-21)18-2-1-9-29-18/h1-2,5-10,12-14H,3-4,11H2,(H,23,25,26)
InChIKeyKFXYTFPWHUKNNC-UHFFFAOYSA-N
XLogP3.51
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridin-2-one (CID 16720104) is 1-(cyclopropylmethyl)-5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridin-2-one is O=c1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridin-2-one?
The InChIKey is KFXYTFPWHUKNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c28-19-6-5-15(12-27(19)11-14-3-4-14)25-21-23-10-16(17-7-8-22-13-24-17)20(26-21)18-2-1-9-29-18/h1-2,5-10,12-14H,3-4,11H2,(H,23,25,26).
What are the key properties of 1-(cyclopropylmethyl)-5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridin-2-one?
1-(cyclopropylmethyl)-5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridin-2-one has a molecular weight of 386.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridin-2-one is sourced from PubChem (CID 16720104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).