3-(2,4-dioxopyrimidin-1-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide

C17H20FN5O4 — CID 90634151

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C17H20FN5O4/c18-11-9-19-16(20-10-11)27-13-3-1-12(2-4-13)21-14(24)5-7-23-8-6-15(25)22-17(23)26/h6,8-10,12-13H,1-5,7H2,(H,21,24)(H,22,25,26)
InChIKeyNXVJZHUVPNJIAN-UHFFFAOYSA-N
MW377.38 g/mol
LogP0.36
Rot. Bonds6

About 3-(2,4-dioxopyrimidin-1-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide (PubChem CID 90634151) has the molecular formula C17H20FN5O4 and a molecular weight of 377.38 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide
PubChem CID90634151
Molecular FormulaC17H20FN5O4
Molecular Weight377.38 g/mol
Exact Mass377.15
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C17H20FN5O4/c18-11-9-19-16(20-10-11)27-13-3-1-12(2-4-13)21-14(24)5-7-23-8-6-15(25)22-17(23)26/h6,8-10,12-13H,1-5,7H2,(H,21,24)(H,22,25,26)
InChIKeyNXVJZHUVPNJIAN-UHFFFAOYSA-N
XLogP0.36
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide (CID 90634151) is 3-(2,4-dioxopyrimidin-1-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide is O=C(CCn1ccc(=O)[nH]c1=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide?
The InChIKey is NXVJZHUVPNJIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O4/c18-11-9-19-16(20-10-11)27-13-3-1-12(2-4-13)21-14(24)5-7-23-8-6-15(25)22-17(23)26/h6,8-10,12-13H,1-5,7H2,(H,21,24)(H,22,25,26).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide has a molecular weight of 377.38 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide is sourced from PubChem (CID 90634151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).